#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqz s GLU 87 N 0.00 4.24 -0.30 1.43 8.01 -1.26 -4.88 118.70 125.94 3kqz s GLU 87 Ca 0.00 2.19 -0.21 0.00 0.01 0.00 0.00 54.97 56.96 3kqz s GLU 87 Cb 0.00 -3.51 -0.01 0.00 -4.31 0.00 0.00 34.13 26.31 3kqz s GLU 87 CO 0.00 -0.64 0.69 0.54 0.01 0.00 0.00 175.26 175.86 3kqz s VAL 88 N 2.25 4.89 0.61 2.63 0.11 -1.26 -5.02 120.40 124.60 3kqz s VAL 88 Ca 0.69 1.01 -0.19 0.00 -2.93 0.00 0.00 61.98 60.56 3kqz s VAL 88 Cb -0.37 -4.05 -0.03 0.00 -1.53 0.00 0.00 36.38 30.40 3kqz s VAL 88 CO 0.30 -0.16 1.32 -2.16 -3.33 0.00 0.00 175.10 171.07 3kqz s PRO 89 N 2.73 2.77 0.03 1.54 0.04 -1.26 -4.92 135.00 135.93 3kqz s PRO 89 Ca 0.28 2.14 0.05 0.00 0.04 0.00 0.00 61.00 63.51 3kqz s PRO 89 Cb -0.15 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 3kqz s PRO 89 CO 0.12 -1.45 -0.15 -0.65 0.04 0.00 0.00 177.00 174.90 3kqz s GLN 90 N -3.20 1.05 -0.02 4.56 -0.21 -1.26 -5.01 119.66 115.56 3kqz s GLN 90 Ca 0.79 -0.76 -0.06 0.00 0.02 0.00 0.00 55.36 55.34 3kqz s GLN 90 Cb -0.39 -1.07 -0.29 0.00 1.00 0.00 0.00 33.01 32.26 3kqz s GLN 90 CO 0.43 0.27 0.76 0.28 -2.12 0.00 0.00 175.29 174.91 3kqz h VAL 91 N 4.51 1.04 -3.34 1.09 2.07 -1.95 -3.47 116.25 116.20 3kqz h VAL 91 Ca -0.38 -2.65 -0.38 0.00 0.82 0.00 0.00 66.70 64.10 3kqz h VAL 91 Cb 1.17 2.75 -0.16 0.00 -1.52 0.00 0.00 31.29 33.54 3kqz h VAL 91 CO 0.45 0.83 -0.73 0.68 0.02 0.00 0.00 177.57 178.81 3kqz s VAL 92 N -2.60 1.35 -0.74 2.57 -7.23 -1.26 -5.02 120.40 107.47 3kqz s VAL 92 Ca -0.12 -1.97 0.11 0.00 -1.81 0.00 0.00 61.98 58.19 3kqz s VAL 92 Cb 0.06 -1.77 0.11 0.00 0.56 0.00 0.00 36.38 35.34 3kqz s VAL 92 CO 0.85 -0.60 1.35 -1.54 -0.31 0.00 0.00 175.10 174.85 3kqz n SER 93 N 0.02 0.22 -0.08 4.85 3.41 -1.26 -1.33 113.62 119.45 3kqz n SER 93 Ca -0.12 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.20 3kqz n SER 93 Cb 0.59 -0.62 0.34 0.00 -0.26 0.00 0.00 64.21 64.26 3kqz n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqz n LEU 94 N -1.78 0.62 -4.71 1.04 4.77 -1.26 -4.86 117.00 110.83 3kqz n LEU 94 Ca 0.01 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 3kqz n LEU 94 Cb 0.07 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3kqz n LEU 94 CO 0.08 0.13 1.26 -1.81 -1.33 0.00 0.00 177.39 175.72 3kqz s ASP 95 N -2.81 6.59 0.74 -1.43 1.01 -0.44 -4.98 116.67 115.35 3kqz s ASP 95 Ca 0.16 2.57 -0.11 0.00 0.71 0.00 0.00 52.55 55.89 3kqz s ASP 95 Cb 0.18 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.57 3kqz s ASP 95 CO 0.62 -0.85 1.08 -2.16 0.21 0.00 0.00 175.17 174.07 3kqz s PRO 96 N 1.67 2.52 0.00 8.23 0.04 -1.26 -4.96 135.00 141.23 3kqz s PRO 96 Ca 0.71 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.81 3kqz s PRO 96 Cb -0.42 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3kqz s PRO 96 CO 0.32 -1.43 0.81 0.25 0.04 0.00 0.00 177.00 176.99 3kqz n THR 97 N -3.36 0.65 -3.57 1.26 -2.24 -1.26 -4.86 114.28 100.90 3kqz n THR 97 Ca 0.08 -0.68 -0.11 0.00 -2.27 0.00 0.00 64.05 61.07 3kqz n THR 97 Cb 0.53 0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 69.42 3kqz n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kqz s SER 98 N -0.65 -0.34 -0.21 3.42 1.04 -1.26 -4.73 113.70 110.97 3kqz s SER 98 Ca 0.00 -0.20 -0.25 0.00 0.48 0.00 0.00 55.95 55.97 3kqz s SER 98 Cb 0.00 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 3kqz s SER 98 CO 0.00 -0.88 0.86 -0.63 0.98 0.00 0.00 173.24 173.57 3kqz s ILE 99 N -3.72 4.84 0.09 -1.02 1.01 -1.26 -4.86 121.20 116.28 3kqz s ILE 99 Ca 0.02 1.65 -0.31 0.00 0.00 0.00 0.00 60.65 62.01 3kqz s ILE 99 Cb 0.01 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 3kqz s ILE 99 CO -0.12 -0.04 1.52 -2.16 0.00 0.00 0.00 174.94 174.14 3kqz s PRO 100 N 2.55 4.25 -0.06 2.79 0.04 -1.26 -5.00 135.00 138.32 3kqz s PRO 100 Ca 0.38 2.20 0.02 0.00 0.04 0.00 0.00 61.00 63.63 3kqz s PRO 100 Cb -0.16 -3.41 0.02 0.00 0.04 0.00 0.00 34.50 30.99 3kqz s PRO 100 CO 0.10 -0.60 -0.09 0.42 0.04 0.00 0.00 177.00 176.87 3kqz s ILE 101 N 1.87 0.87 -0.31 0.56 1.01 -1.26 -4.97 121.20 118.97 3kqz s ILE 101 Ca 0.69 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.88 3kqz s ILE 101 Cb -0.38 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 3kqz s ILE 101 CO 0.30 0.30 0.34 -0.70 0.00 0.00 0.00 174.94 175.19 3kqz s GLU 102 N 0.84 3.76 -0.23 2.79 2.12 -1.26 -4.97 118.70 121.76 3kqz s GLU 102 Ca -0.12 -0.25 -0.16 0.00 0.36 0.00 0.00 54.97 54.80 3kqz s GLU 102 Cb -0.15 -3.74 -0.12 0.00 0.26 0.00 0.00 34.13 30.39 3kqz s GLU 102 CO 0.01 -0.40 -0.19 0.66 -0.54 0.00 0.00 175.26 174.80 3kqz n TYR 103 N 5.33 0.37 -2.81 5.30 4.02 -1.26 -4.75 117.16 123.37 3kqz n TYR 103 Ca -0.09 0.16 -0.43 0.00 -0.01 0.00 0.00 57.90 57.53 3kqz n TYR 103 Cb 0.50 -0.90 -0.04 0.00 -0.02 0.00 0.00 39.34 38.88 3kqz n TYR 103 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 3kqz s ASN 104 N -6.83 6.37 0.48 7.72 3.84 -1.26 -5.00 114.94 120.26 3kqz s ASN 104 Ca -0.32 -0.25 0.00 0.00 0.21 0.00 0.00 52.86 52.50 3kqz s ASN 104 Cb 0.09 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 38.34 3kqz s ASN 104 CO 0.47 -1.24 0.70 0.42 -2.79 0.00 0.00 177.10 174.67 3kqz s THR 105 N 4.04 3.70 0.41 -5.21 -4.23 -1.26 -4.97 115.64 108.13 3kqz s THR 105 Ca 0.32 -0.50 0.15 0.00 -1.18 0.00 0.00 61.69 60.48 3kqz s THR 105 Cb -0.12 -3.38 0.36 0.00 1.34 0.00 0.00 72.50 70.70 3kqz s THR 105 CO 0.21 -0.27 1.89 -0.65 -0.54 0.00 0.00 174.62 175.26 3kqz h PRO 106 N 0.30 0.45 -0.95 3.99 0.11 -1.99 -1.26 132.00 132.66 3kqz h PRO 106 Ca -0.45 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.73 3kqz h PRO 106 Cb 1.26 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.19 3kqz h PRO 106 CO 0.56 0.30 0.59 0.82 -0.21 0.00 0.00 178.00 180.06 3kqz h ILE 107 N 0.47 0.95 0.00 4.15 1.08 -1.93 0.64 117.51 122.87 3kqz h ILE 107 Ca 0.41 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 3kqz h ILE 107 Cb 0.90 -0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 34.55 3kqz h ILE 107 CO -0.15 0.18 -0.05 0.45 -0.69 0.00 0.00 178.15 177.89 3kqz h HIS 108 N 0.97 0.00 0.00 1.37 3.86 -1.60 -2.24 115.15 117.51 3kqz h HIS 108 Ca 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 3kqz h HIS 108 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 3kqz h HIS 108 CO -0.02 0.05 -0.03 -0.44 0.86 0.00 0.00 177.93 178.35 3kqz h ASP 109 N 0.00 0.00 -2.70 2.45 3.32 -0.85 -3.45 116.42 115.19 3kqz h ASP 109 Ca -0.00 -0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 3kqz h ASP 109 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3kqz h ASP 109 CO 0.01 0.00 1.09 -0.63 -1.72 0.00 0.00 179.24 177.99 3kqz s ILE 110 N -3.19 3.70 -0.13 0.35 1.01 -0.85 -4.88 121.20 117.21 3kqz s ILE 110 Ca 0.08 0.82 -0.29 0.00 0.00 0.00 0.00 60.65 61.25 3kqz s ILE 110 Cb 0.07 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 3kqz s ILE 110 CO 0.66 -0.17 1.04 -0.54 0.00 0.00 0.00 174.94 175.93 3kqz s LYS 111 N 4.30 4.37 -0.19 2.79 1.02 0.16 -4.83 119.74 127.35 3kqz s LYS 111 Ca 0.71 1.42 -0.03 0.00 0.02 0.00 0.00 55.97 58.09 3kqz s LYS 111 Cb -0.28 -3.57 -0.01 0.00 -0.52 0.00 0.00 37.83 33.45 3kqz s LYS 111 CO 0.28 -0.42 -0.08 0.08 -0.92 0.00 0.00 175.35 174.30 3kqz s VAL 112 N 2.36 3.19 -0.10 3.17 1.01 -1.25 0.27 120.40 129.05 3kqz s VAL 112 Ca 0.48 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.93 3kqz s VAL 112 Cb -0.18 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 3kqz s VAL 112 CO 0.15 0.46 -0.22 -1.10 0.00 0.00 0.00 175.10 174.40 3kqz s GLN 113 N 1.17 3.10 -0.14 2.72 -1.52 0.06 -4.99 119.66 120.07 3kqz s GLN 113 Ca 0.02 -0.84 -0.06 0.00 -1.95 0.00 0.00 55.36 52.53 3kqz s GLN 113 Cb -0.14 -2.36 -0.04 0.00 -0.22 0.00 0.00 33.01 30.24 3kqz s GLN 113 CO -0.02 0.19 0.06 0.08 -0.25 0.00 0.00 175.29 175.35 3kqz s VAL 114 N 0.32 4.82 0.07 1.09 1.01 -1.26 -0.53 120.40 125.92 3kqz s VAL 114 Ca -0.17 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 61.83 3kqz s VAL 114 Cb -0.17 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3kqz s VAL 114 CO 0.08 0.54 -0.15 -0.31 0.00 0.00 0.00 175.10 175.26 3kqz s TYR 115 N -0.36 1.32 0.13 5.22 1.51 0.34 -4.95 117.35 120.56 3kqz s TYR 115 Ca 0.09 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 3kqz s TYR 115 Cb -0.12 -0.75 -0.07 0.00 -0.11 0.00 0.00 41.96 40.91 3kqz s TYR 115 CO 0.02 0.07 1.11 0.34 -1.11 0.00 0.00 175.55 175.99 3kqz s ASP 116 N -1.59 7.23 0.27 2.29 2.15 -1.26 -1.76 116.67 123.99 3kqz s ASP 116 Ca 0.00 2.02 0.02 0.00 0.43 0.00 0.00 52.55 55.03 3kqz s ASP 116 Cb -0.09 -2.59 0.37 0.00 -0.30 0.00 0.00 42.92 40.31 3kqz s ASP 116 CO 0.02 -0.29 1.69 -0.29 -0.17 0.00 0.00 175.17 176.13 3kqz h ILE 117 N 4.05 1.28 -2.88 4.11 2.10 -1.79 -3.37 117.51 121.01 3kqz h ILE 117 Ca -0.43 -1.39 -0.52 0.00 1.08 0.00 0.00 64.86 63.59 3kqz h ILE 117 Cb 1.21 1.47 0.06 0.00 -1.09 0.00 0.00 36.82 38.47 3kqz h ILE 117 CO 0.75 0.43 0.94 -0.54 -1.08 0.00 0.00 178.15 178.66 3kqz s LYS 118 N -4.36 4.15 0.00 2.19 1.02 -1.26 -0.76 119.74 120.72 3kqz s LYS 118 Ca -0.06 2.53 0.00 0.00 0.02 0.00 0.00 55.97 58.46 3kqz s LYS 118 Cb 0.13 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 3kqz s LYS 118 CO 0.79 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 3kqz n GLY 119 N 3.46 1.97 0.35 -3.33 0.00 -1.26 -5.04 105.19 101.34 3kqz n GLY 119 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3kqz n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 120 N -0.24 -2.78 3.24 -0.02 0.00 0.06 -4.90 105.19 100.55 3kqz n GLY 120 Ca 0.00 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 3kqz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqz s ASN 122 N 1.11 6.95 0.00 0.00 0.01 -1.26 -0.79 114.94 120.96 3kqz s ASN 122 Ca 0.00 1.49 0.00 0.00 -0.71 0.00 0.00 52.86 53.65 3kqz s ASN 122 Cb -0.14 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.06 3kqz s ASN 122 CO -0.04 -0.19 0.00 0.52 -1.51 0.00 0.00 177.10 175.88 3kqz n VAL 123 N -0.12 0.00 0.00 1.60 0.31 -1.26 -4.99 118.33 113.87 3kqz n VAL 123 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3kqz n VAL 123 Cb 0.53 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 3kqz n VAL 123 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3kqz n GLU 124 N -0.09 0.00 -0.76 5.55 0.28 -1.26 -4.85 120.64 119.51 3kqz n GLU 124 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 3kqz n GLU 124 Cb 0.00 0.00 0.14 0.00 1.43 0.00 0.00 31.44 33.01 3kqz n GLU 124 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3kqz n GLU 125 N 11.46 -0.51 0.00 3.44 1.02 -1.26 -4.49 120.64 130.29 3kqz n GLU 125 Ca 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3kqz n GLU 125 Cb 0.00 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 3kqz n GLU 125 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kqz n GLY 126 N 1.38 2.35 3.13 0.62 0.00 -1.26 -4.70 105.19 106.71 3kqz n GLY 126 Ca 0.07 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 3kqz n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kqz s LEU 127 N 0.00 1.91 -0.17 0.99 2.96 0.14 -3.43 118.68 121.09 3kqz s LEU 127 Ca 0.00 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 3kqz s LEU 127 Cb 0.00 -0.96 0.02 0.00 0.50 0.00 0.00 46.19 45.75 3kqz s LEU 127 CO 0.00 0.15 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.11 3kqz s THR 128 N 0.05 1.89 -0.17 3.68 2.01 -0.17 0.55 115.64 123.49 3kqz s THR 128 Ca -0.04 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.13 3kqz s THR 128 Cb -0.11 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.69 3kqz s THR 128 CO 0.02 0.51 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.66 3kqz s ILE 129 N 1.33 1.88 -0.19 1.82 -1.09 0.98 -0.34 121.20 125.59 3kqz s ILE 129 Ca 0.04 -0.83 -0.24 0.00 -2.23 0.00 0.00 60.65 57.39 3kqz s ILE 129 Cb -0.13 -1.72 -0.02 0.00 -1.58 0.00 0.00 42.46 39.01 3kqz s ILE 129 CO -0.12 0.51 0.78 -0.36 -1.23 0.00 0.00 174.94 174.52 3kqz s PHE 130 N 1.36 3.39 -0.89 3.97 0.40 0.06 -0.66 117.98 125.60 3kqz s PHE 130 Ca 0.05 1.14 -0.21 0.00 -0.60 0.00 0.00 56.93 57.31 3kqz s PHE 130 Cb -0.13 -2.96 0.09 0.00 0.51 0.00 0.00 43.02 40.53 3kqz s PHE 130 CO -0.12 -0.26 1.20 -0.51 0.70 0.00 0.00 175.22 176.23 3kqz s LEU 131 N 2.23 4.38 -0.19 -0.37 1.43 -0.16 -1.47 118.68 124.53 3kqz s LEU 131 Ca 0.35 -1.58 -0.07 0.00 -1.03 0.00 0.00 54.13 51.80 3kqz s LEU 131 Cb -0.16 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 3kqz s LEU 131 CO 0.11 -1.31 0.05 0.68 0.23 0.00 0.00 176.35 176.11 3kqz s VAL 132 N 3.77 4.58 0.53 -1.59 -7.23 -1.07 -2.26 120.40 117.14 3kqz s VAL 132 Ca 0.35 -0.10 0.07 0.00 -1.81 0.00 0.00 61.98 60.48 3kqz s VAL 132 Cb -0.06 -3.07 0.07 0.00 0.56 0.00 0.00 36.38 33.89 3kqz s VAL 132 CO -0.04 0.45 0.60 -0.46 -0.31 0.00 0.00 175.10 175.33 3kqz n ASN 133 N 3.74 2.25 -3.04 4.85 0.23 -1.26 -1.09 115.26 120.94 3kqz n ASN 133 Ca -0.17 -2.58 -0.14 0.00 -0.53 0.00 0.00 54.58 51.17 3kqz n ASN 133 Cb 0.52 -0.25 -0.04 0.00 -2.08 0.00 0.00 39.78 37.93 3kqz n ASN 133 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqz s ASN 134 N -4.22 -0.22 0.08 0.53 3.84 -0.94 -4.72 114.94 109.29 3kqz s ASN 134 Ca 0.45 -2.27 -0.34 0.00 0.21 0.00 0.00 52.86 50.91 3kqz s ASN 134 Cb -0.04 0.91 -0.14 0.00 -0.55 0.00 0.00 41.25 41.44 3kqz s ASN 134 CO 0.29 -0.11 1.63 -0.81 -2.79 0.00 0.00 177.10 175.31 3kqz n PRO 135 N 2.95 2.03 0.00 0.43 -0.04 -1.26 -3.57 135.00 135.53 3kqz n PRO 135 Ca 0.23 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 3kqz n PRO 135 Cb 0.52 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 3kqz n PRO 135 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kqz n GLY 136 N 3.58 2.10 3.60 0.55 0.00 -0.79 -5.03 105.19 109.19 3kqz n GLY 136 Ca 0.19 -0.63 -0.54 0.00 0.00 0.00 0.00 46.02 45.03 3kqz n GLY 136 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kqz n LYS 137 N 0.00 0.96 -0.12 1.61 -0.00 -1.23 -4.88 118.16 114.50 3kqz n LYS 137 Ca 0.00 0.35 -0.06 0.00 -0.00 0.00 0.00 58.31 58.60 3kqz n LYS 137 Cb 0.00 -1.97 -0.05 0.00 -0.00 0.00 0.00 35.03 33.01 3kqz n LYS 137 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3kqz h GLU 138 N 4.69 -0.11 -2.11 -1.58 3.07 -1.97 -2.77 114.58 113.81 3kqz h GLU 138 Ca -0.48 0.01 -0.56 0.00 -0.50 0.00 0.00 59.36 57.82 3kqz h GLU 138 Cb 1.35 0.02 -0.41 0.00 -0.84 0.00 0.00 28.75 28.88 3kqz h GLU 138 CO 0.79 -0.07 -0.88 0.09 -1.40 0.00 0.00 179.01 177.54 3kqz n ASN 139 N -3.98 2.23 -4.70 1.42 5.03 -1.26 -4.79 115.26 109.21 3kqz n ASN 139 Ca -0.01 -3.17 -0.34 0.00 0.87 0.00 0.00 54.58 51.93 3kqz n ASN 139 Cb 0.14 -0.63 0.12 0.00 -1.02 0.00 0.00 39.78 38.39 3kqz n ASN 139 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3kqz s GLY 140 N -2.25 2.33 0.80 7.41 0.00 -1.05 -4.40 107.32 110.16 3kqz s GLY 140 Ca 0.40 0.94 -0.13 0.00 0.00 0.00 0.00 44.72 45.94 3kqz s GLY 140 CO -0.08 1.37 1.18 2.56 0.00 0.00 0.00 173.10 178.13 3kqz s PRO 141 N -3.96 1.76 -0.04 2.90 0.04 -1.26 -1.37 135.00 133.07 3kqz s PRO 141 Ca 0.76 1.63 -0.25 0.00 0.04 0.00 0.00 61.00 63.18 3kqz s PRO 141 Cb -0.31 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3kqz s PRO 141 CO 0.48 -2.09 0.76 0.14 0.04 0.00 0.00 177.00 176.33 3kqz s VAL 142 N -2.30 4.98 -0.19 -0.36 -7.23 -0.39 -4.71 120.40 110.21 3kqz s VAL 142 Ca 0.70 1.59 0.01 0.00 -1.81 0.00 0.00 61.98 62.48 3kqz s VAL 142 Cb -0.26 -4.11 0.03 0.00 0.56 0.00 0.00 36.38 32.61 3kqz s VAL 142 CO 0.51 0.24 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.84 3kqz s LYS 143 N 0.76 2.56 -0.59 4.82 1.02 -1.26 -4.29 119.74 122.77 3kqz s LYS 143 Ca 0.41 -0.86 -0.22 0.00 0.02 0.00 0.00 55.97 55.32 3kqz s LYS 143 Cb -0.19 -2.50 0.06 0.00 -0.52 0.00 0.00 37.83 34.68 3kqz s LYS 143 CO 0.21 -0.31 0.87 0.42 -0.92 0.00 0.00 175.35 175.61 3kqz s ILE 144 N 1.32 4.49 0.10 2.17 1.01 -1.26 -4.92 121.20 124.11 3kqz s ILE 144 Ca 0.02 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 3kqz s ILE 144 Cb -0.15 -4.55 -0.08 0.00 0.01 0.00 0.00 42.46 37.70 3kqz s ILE 144 CO -0.10 -1.20 1.45 0.77 0.00 0.00 0.00 174.94 175.86 3kqz h SER 145 N 9.34 0.69 -3.15 3.58 4.64 -1.96 -3.47 113.55 123.21 3kqz h SER 145 Ca -0.28 -0.43 -0.58 0.00 -0.47 0.00 0.00 61.79 60.03 3kqz h SER 145 Cb 1.08 -0.19 0.12 0.00 -0.31 0.00 0.00 62.40 63.09 3kqz h SER 145 CO 1.10 0.97 0.36 -1.20 -0.87 0.00 0.00 176.83 177.19 3kqz n SER 146 N -4.35 2.11 -4.70 4.97 7.64 -1.26 -4.96 113.62 113.07 3kqz n SER 146 Ca -0.03 1.14 -0.42 0.00 1.01 0.00 0.00 58.87 60.57 3kqz n SER 146 Cb 0.41 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.16 3kqz n SER 146 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3kqz s LYS 147 N -1.92 4.31 -0.25 1.43 0.00 -1.26 -4.98 119.74 117.07 3kqz s LYS 147 Ca 0.59 1.97 -0.02 0.00 0.00 0.00 0.00 55.97 58.51 3kqz s LYS 147 Cb -0.58 -3.45 0.03 0.00 0.00 0.00 0.00 37.83 33.83 3kqz s LYS 147 CO 0.60 -0.50 -0.05 0.08 0.00 0.00 0.00 175.35 175.48 3kqz s VAL 148 N 1.87 2.91 0.00 1.79 1.01 -1.26 -0.79 120.40 125.93 3kqz s VAL 148 Ca 0.63 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 3kqz s VAL 148 Cb -0.33 -2.49 -0.21 0.00 0.00 0.00 0.00 36.38 33.35 3kqz s VAL 148 CO 0.28 0.18 3.02 0.59 0.00 0.00 0.00 175.10 179.17 3kqz n ASN 149 N 4.67 4.41 -3.69 3.32 3.02 0.03 -4.62 115.26 122.40 3kqz n ASN 149 Ca -0.16 -2.31 -0.11 0.00 -0.03 0.00 0.00 54.58 51.97 3kqz n ASN 149 Cb 0.47 -1.18 -0.11 0.00 -0.61 0.00 0.00 39.78 38.35 3kqz n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kqz s ASP 150 N 2.15 -0.40 0.04 6.41 2.15 -1.26 -4.83 116.67 120.93 3kqz s ASP 150 Ca 0.52 0.84 -0.24 0.00 0.43 0.00 0.00 52.55 54.10 3kqz s ASP 150 Cb 0.25 0.81 -0.17 0.00 -0.30 0.00 0.00 42.92 43.50 3kqz s ASP 150 CO 0.00 -0.20 1.53 0.07 -0.17 0.00 0.00 175.17 176.40 3kqz h LYS 151 N 7.35 0.00 -0.05 4.34 2.10 -1.97 -2.53 116.57 125.82 3kqz h LYS 151 Ca -0.33 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.32 3kqz h LYS 151 Cb 1.16 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3kqz h LYS 151 CO 0.27 0.21 0.02 1.96 -2.00 0.00 0.00 179.45 179.91 3kqz h GLN 152 N -0.21 0.08 0.00 0.07 1.08 -1.88 0.06 115.11 114.30 3kqz h GLN 152 Ca 0.00 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3kqz h GLN 152 Cb 0.21 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3kqz h GLN 152 CO -0.00 0.23 -0.03 -0.39 -0.95 0.00 0.00 178.83 177.69 3kqz h VAL 153 N -0.09 0.17 0.10 -0.54 -1.51 -1.82 -1.79 116.25 110.77 3kqz h VAL 153 Ca 0.02 -0.22 -0.32 0.00 -1.23 0.00 0.00 66.70 64.95 3kqz h VAL 153 Cb 0.18 1.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 3kqz h VAL 153 CO -0.00 0.02 -1.66 0.28 -1.23 0.00 0.00 177.57 174.98 3kqz h SER 154 N 0.00 0.32 0.35 4.19 0.02 -0.97 -2.18 113.55 115.28 3kqz h SER 154 Ca -0.00 -0.53 -0.03 0.00 -0.84 0.00 0.00 61.79 60.39 3kqz h SER 154 Cb 0.18 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 3kqz h SER 154 CO 0.00 1.45 -0.14 -0.33 -1.14 0.00 0.00 176.83 176.68 3kqz h GLU 155 N 0.06 0.00 0.01 3.45 5.08 -0.39 -2.81 114.58 119.98 3kqz h GLU 155 Ca -0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3kqz h GLU 155 Cb 2.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.27 3kqz h GLU 155 CO 0.13 0.14 -0.01 0.35 -1.00 0.00 0.00 179.01 178.62 3kqz h PHE 156 N 0.00 -0.02 0.00 4.33 3.57 -1.40 -3.33 116.94 120.09 3kqz h PHE 156 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3kqz h PHE 156 Cb 0.36 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3kqz h PHE 156 CO 0.00 0.77 0.00 1.28 -2.23 0.00 0.00 178.31 178.13 3kqz n LEU 157 N -4.70 0.56 -4.67 0.59 4.77 -0.82 -4.62 117.00 108.10 3kqz n LEU 157 Ca -0.09 -0.28 -0.37 0.00 -0.03 0.00 0.00 56.01 55.24 3kqz n LEU 157 Cb 0.39 -0.28 0.06 0.00 -2.33 0.00 0.00 43.42 41.26 3kqz n LEU 157 CO 0.31 0.14 0.73 0.29 -1.33 0.00 0.00 177.39 177.53 3kqz n LYS 158 N -0.21 1.03 -0.35 3.23 4.76 -1.07 -4.58 118.16 120.96 3kqz n LYS 158 Ca 0.00 0.40 0.06 0.00 -2.87 0.00 0.00 58.31 55.90 3kqz n LYS 158 Cb 0.14 -2.35 0.22 0.00 -1.84 0.00 0.00 35.03 31.20 3kqz n LYS 158 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3kqz h ASP 159 N 0.55 0.90 -0.58 4.39 3.32 -1.91 -1.76 116.42 121.33 3kqz h ASP 159 Ca -0.50 0.05 0.12 0.00 0.02 0.00 0.00 57.03 56.71 3kqz h ASP 159 Cb 1.35 -0.14 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 3kqz h ASP 159 CO 0.52 0.49 -0.15 -0.33 -1.72 0.00 0.00 179.24 178.05 3kqz h GLU 160 N 0.98 -0.00 -0.06 3.56 3.07 -1.94 0.24 114.58 120.42 3kqz h GLU 160 Ca 0.48 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.18 3kqz h GLU 160 Cb 0.45 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 3kqz h GLU 160 CO -0.26 -0.00 -0.65 -0.91 -1.40 0.00 0.00 179.01 175.78 3kqz h ASN 161 N -0.00 0.30 0.96 1.42 2.35 -1.66 -3.31 115.58 115.63 3kqz h ASN 161 Ca 0.28 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3kqz h ASN 161 Cb 0.43 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3kqz h ASN 161 CO -0.60 0.87 -0.41 0.23 -1.65 0.00 0.00 177.43 175.86 3kqz n MET 162 N -3.84 0.22 -0.29 0.81 2.81 -0.61 -4.06 117.12 112.17 3kqz n MET 162 Ca -0.03 0.10 0.06 0.00 -1.81 0.00 0.00 57.70 56.02 3kqz n MET 162 Cb 0.65 -1.67 0.27 0.00 -0.71 0.00 0.00 33.22 31.77 3kqz n MET 162 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3kqz h GLU 163 N 0.00 0.92 0.00 0.03 5.08 -1.08 -2.63 114.58 116.89 3kqz h GLU 163 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3kqz h GLU 163 Cb 0.69 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3kqz h GLU 163 CO 0.00 0.61 0.00 1.57 -1.00 0.00 0.00 179.01 180.19 3kqz h LYS 164 N 0.94 0.00 -5.93 2.33 2.10 -1.83 -3.43 116.57 110.77 3kqz h LYS 164 Ca 0.40 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 58.39 3kqz h LYS 164 Cb 0.31 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.55 3kqz h LYS 164 CO -0.16 0.00 -0.55 -0.06 -2.00 0.00 0.00 179.45 176.68 3kqz s PHE 165 N -3.61 3.36 0.51 0.07 0.40 -0.99 -5.05 117.98 112.67 3kqz s PHE 165 Ca 0.00 0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.64 3kqz s PHE 165 Cb 0.09 -1.78 0.01 0.00 0.51 0.00 0.00 43.02 41.85 3kqz s PHE 165 CO 0.40 0.58 0.23 0.54 0.70 0.00 0.00 175.22 177.67 3kqz s ASN 166 N -1.67 4.43 -0.13 1.36 2.20 -1.26 -1.26 114.94 118.62 3kqz s ASN 166 Ca 0.23 -1.35 0.15 0.00 -0.94 0.00 0.00 52.86 50.94 3kqz s ASN 166 Cb -0.12 0.30 0.51 0.00 -2.00 0.00 0.00 41.25 39.94 3kqz s ASN 166 CO 0.13 -0.93 1.42 1.33 -2.94 0.00 0.00 177.10 176.12 3kqz n VAL 167 N -1.51 1.91 -1.63 3.54 0.24 -0.47 -4.71 118.33 115.69 3kqz n VAL 167 Ca -0.07 -1.53 -0.56 0.00 -2.04 0.00 0.00 64.34 60.14 3kqz n VAL 167 Cb 0.65 -0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.95 3kqz n VAL 167 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3kqz n LYS 168 N 0.03 0.96 -1.58 7.34 5.02 -1.26 -0.70 118.16 127.97 3kqz n LYS 168 Ca 0.20 0.35 -0.64 0.00 -2.02 0.00 0.00 58.31 56.20 3kqz n LYS 168 Cb 0.78 -1.98 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 3kqz n LYS 168 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3kqz n LEU 169 N 3.53 1.19 0.00 -0.35 7.94 -1.26 -1.04 117.00 127.00 3kqz n LEU 169 Ca 0.22 0.99 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 3kqz n LEU 169 Cb 0.14 -0.92 0.00 0.00 0.53 0.00 0.00 43.42 43.17 3kqz n LEU 169 CO 0.70 -0.78 0.00 0.61 -1.11 0.00 0.00 177.39 176.81 3kqz n GLY 170 N 5.22 2.01 3.68 -3.96 0.00 0.10 -4.96 105.19 107.29 3kqz n GLY 170 Ca 0.39 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 3kqz n GLY 170 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kqz n THR 171 N -2.00 3.35 -3.77 2.61 -1.04 -0.21 -4.77 114.28 108.45 3kqz n THR 171 Ca 0.00 -0.37 -0.11 0.00 -2.04 0.00 0.00 64.05 61.53 3kqz n THR 171 Cb 0.00 -1.27 -0.07 0.00 -1.82 0.00 0.00 70.33 67.17 3kqz n THR 171 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3kqz s SER 172 N -1.69 -0.09 0.05 8.00 1.04 -1.26 -1.09 113.70 118.65 3kqz s SER 172 Ca 0.77 -0.24 -0.12 0.00 0.48 0.00 0.00 55.95 56.84 3kqz s SER 172 Cb -0.34 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.14 3kqz s SER 172 CO 0.47 -0.62 0.26 -0.54 0.98 0.00 0.00 173.24 173.78 3kqz s LYS 173 N -2.65 0.77 -0.05 4.02 3.01 -0.92 -4.99 119.74 118.93 3kqz s LYS 173 Ca -0.04 -0.59 0.06 0.00 -1.01 0.00 0.00 55.97 54.38 3kqz s LYS 173 Cb -0.01 0.33 -0.01 0.00 -1.01 0.00 0.00 37.83 37.13 3kqz s LYS 173 CO -0.04 -0.24 -0.23 -1.01 0.51 0.00 0.00 175.35 174.34 3kqz s HIS 174 N -2.68 2.21 0.05 3.18 3.76 -1.26 -2.55 115.29 118.00 3kqz s HIS 174 Ca -0.04 -0.61 0.07 0.00 -0.15 0.00 0.00 55.06 54.33 3kqz s HIS 174 Cb -0.00 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 32.21 3kqz s HIS 174 CO -0.04 -0.18 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.41 3kqz s PHE 175 N -0.18 1.72 -0.05 1.40 0.08 0.43 -4.95 117.98 116.43 3kqz s PHE 175 Ca -0.02 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.68 3kqz s PHE 175 Cb -0.12 -1.01 0.01 0.00 -0.57 0.00 0.00 43.02 41.32 3kqz s PHE 175 CO 0.03 0.10 -0.12 -0.47 -0.10 0.00 0.00 175.22 174.65 3kqz s TYR 176 N -0.87 1.35 0.03 0.36 5.04 -1.26 -1.92 117.35 120.07 3kqz s TYR 176 Ca 0.06 -0.42 -0.27 0.00 -2.44 0.00 0.00 57.07 54.00 3kqz s TYR 176 Cb -0.09 -0.96 0.08 0.00 0.35 0.00 0.00 41.96 41.34 3kqz s TYR 176 CO 0.02 -0.19 0.71 0.00 -1.34 0.00 0.00 175.55 174.75 3kqz s MET 177 N 0.36 1.07 -0.17 4.97 0.23 -1.19 -5.03 119.30 119.54 3kqz s MET 177 Ca -0.08 -0.11 -0.19 0.00 -1.03 0.00 0.00 55.69 54.27 3kqz s MET 177 Cb -0.12 0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 3kqz s MET 177 CO 0.02 -0.41 0.55 -0.06 -2.03 0.00 0.00 175.02 173.09 3kqz s PHE 178 N -2.45 3.42 0.00 3.16 0.08 -1.25 -1.22 117.98 119.71 3kqz s PHE 178 Ca -0.03 0.87 0.00 0.00 0.12 0.00 0.00 56.93 57.88 3kqz s PHE 178 Cb -0.01 -2.68 0.00 0.00 -0.57 0.00 0.00 43.02 39.76 3kqz s PHE 178 CO -0.02 -0.05 0.00 0.27 -0.10 0.00 0.00 175.22 175.32 3kqz n ASN 179 N 4.54 0.00 0.22 1.36 0.23 -1.25 -4.65 115.26 115.71 3kqz n ASN 179 Ca -0.04 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.12 3kqz n ASN 179 Cb 0.51 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.48 3kqz n ASN 179 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kqz h ASP 180 N 0.00 0.00 0.00 0.53 3.32 -1.95 -3.01 116.42 115.31 3kqz h ASP 180 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kqz h ASP 180 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kqz h ASP 180 CO 0.00 0.12 0.00 0.59 -1.72 0.00 0.00 179.24 178.23 3kqz n ASN 181 N -3.16 0.85 -3.99 6.45 3.02 -1.26 -4.82 115.26 112.35 3kqz n ASN 181 Ca 0.03 -1.96 -0.34 0.00 -0.03 0.00 0.00 54.58 52.27 3kqz n ASN 181 Cb 0.52 -0.43 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 3kqz n ASN 181 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kqz n LYS 182 N -0.06 -1.41 0.00 3.52 2.85 -1.14 -4.95 118.16 116.98 3kqz n LYS 182 Ca 0.00 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.52 3kqz n LYS 182 Cb 0.21 -3.64 0.00 0.00 -0.65 0.00 0.00 35.03 30.95 3kqz n LYS 182 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3kqz n ASN 183 N -2.64 0.39 -3.74 -5.58 3.02 -1.26 -4.92 115.26 100.54 3kqz n ASN 183 Ca -0.20 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.22 3kqz n ASN 183 Cb 0.63 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.66 3kqz n ASN 183 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kqz s SER 184 N 0.72 -0.21 0.11 6.41 1.04 -1.26 -3.75 113.70 116.76 3kqz s SER 184 Ca 0.00 0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.89 3kqz s SER 184 Cb 0.00 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3kqz s SER 184 CO 0.00 -0.15 -0.06 0.68 0.98 0.00 0.00 173.24 174.68 3kqz s VAL 185 N 1.16 0.76 -0.07 5.02 -7.23 -0.36 -4.90 120.40 114.78 3kqz s VAL 185 Ca -0.09 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 3kqz s VAL 185 Cb -0.10 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 3kqz s VAL 185 CO -0.07 -0.81 -0.14 0.00 -0.31 0.00 0.00 175.10 173.76 3kqz s ALA 186 N -3.58 2.65 0.03 1.32 0.00 -1.22 -3.14 121.76 117.81 3kqz s ALA 186 Ca 0.14 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 51.08 3kqz s ALA 186 Cb 0.05 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 3kqz s ALA 186 CO -0.03 0.50 0.10 0.08 0.00 0.00 0.00 175.76 176.40 3kqz s VAL 187 N -0.52 0.12 0.00 0.00 1.01 -0.81 -0.99 120.40 119.21 3kqz s VAL 187 Ca 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3kqz s VAL 187 Cb -0.12 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.53 3kqz s VAL 187 CO 0.02 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.19 3kqz n GLY 188 N 0.99 1.89 3.11 4.51 0.00 0.53 0.16 105.19 116.39 3kqz n GLY 188 Ca -0.20 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 3kqz n GLY 188 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kqz s TYR 189 N -2.95 0.39 -0.17 1.61 1.13 -1.06 -0.76 117.35 115.54 3kqz s TYR 189 Ca 0.00 -0.87 -0.00 0.00 -1.41 0.00 0.00 57.07 54.79 3kqz s TYR 189 Cb 0.00 -0.28 0.00 0.00 -1.10 0.00 0.00 41.96 40.58 3kqz s TYR 189 CO 0.00 -0.40 -0.14 0.08 -2.51 0.00 0.00 175.55 172.57 3kqz s VAL 190 N -3.61 2.67 0.11 -3.49 1.01 -0.54 -2.17 120.40 114.37 3kqz s VAL 190 Ca 0.04 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 3kqz s VAL 190 Cb 0.05 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.20 3kqz s VAL 190 CO -0.09 0.50 1.53 -0.83 0.00 0.00 0.00 175.10 176.22 3kqz s GLY 191 N 1.02 1.68 -0.01 4.51 0.00 -0.25 -2.61 107.32 111.66 3kqz s GLY 191 Ca -0.01 1.23 0.12 0.00 0.00 0.00 0.00 44.72 46.05 3kqz s GLY 191 CO -0.03 2.62 1.29 0.00 0.00 0.00 0.00 173.10 176.98 3kqz n GLY 193 N 0.58 -0.65 0.06 0.00 0.00 0.12 -4.59 105.19 100.70 3kqz n GLY 193 Ca 0.13 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.48 3kqz n GLY 193 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kqz n SER 194 N 0.19 0.81 -4.23 1.61 7.64 -1.26 -2.21 113.62 116.17 3kqz n SER 194 Ca 0.00 -0.91 -0.36 0.00 1.01 0.00 0.00 58.87 58.61 3kqz n SER 194 Cb 0.00 0.34 -0.13 0.00 -1.01 0.00 0.00 64.21 63.41 3kqz n SER 194 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kqz s VAL 195 N -0.52 3.34 0.63 0.44 1.01 -1.26 -1.89 120.40 122.15 3kqz s VAL 195 Ca 0.02 -1.13 0.34 0.00 0.00 0.00 0.00 61.98 61.22 3kqz s VAL 195 Cb 0.02 -2.83 0.37 0.00 0.00 0.00 0.00 36.38 33.94 3kqz s VAL 195 CO 0.04 -0.03 2.15 0.00 0.00 0.00 0.00 175.10 177.26 3kqz h ALA 196 N 8.10 1.42 -2.77 5.51 0.00 -1.93 -3.18 119.26 126.40 3kqz h ALA 196 Ca -0.26 -0.00 -0.70 0.00 0.00 0.00 0.00 54.91 53.95 3kqz h ALA 196 Cb 1.09 0.01 -0.36 0.00 0.00 0.00 0.00 17.79 18.53 3kqz h ALA 196 CO 0.57 -0.20 -0.08 -0.40 0.00 0.00 0.00 179.25 179.14 3kqz n ASP 197 N -3.34 4.27 -4.69 0.00 5.68 -1.26 -4.32 116.55 112.89 3kqz n ASP 197 Ca -0.01 -3.16 -0.43 0.00 -0.50 0.00 0.00 54.79 50.68 3kqz n ASP 197 Cb 0.25 -1.04 -0.02 0.00 -1.14 0.00 0.00 41.12 39.18 3kqz n ASP 197 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kqz n LEU 198 N 2.17 3.43 -4.91 -2.12 7.99 -1.21 -4.98 117.00 117.37 3kqz n LEU 198 Ca 0.22 1.18 -0.29 0.00 -0.01 0.00 0.00 56.01 57.11 3kqz n LEU 198 Cb 0.37 -1.47 0.11 0.00 -0.11 0.00 0.00 43.42 42.32 3kqz n LEU 198 CO 0.38 -0.44 0.80 -0.94 -1.51 0.00 0.00 177.39 175.69 3kqz s SER 199 N 0.00 4.14 0.02 -1.43 1.04 -1.26 -4.82 113.70 111.40 3kqz s SER 199 Ca 0.61 0.62 -0.07 0.00 0.48 0.00 0.00 55.95 57.59 3kqz s SER 199 Cb -0.60 -1.00 -0.03 0.00 0.10 0.00 0.00 66.02 64.50 3kqz s SER 199 CO 0.56 -2.12 1.11 -0.08 0.98 0.00 0.00 173.24 173.69 3kqz h GLU 200 N -1.19 -0.17 -0.01 4.02 4.81 -1.98 0.19 114.58 120.25 3kqz h GLU 200 Ca -0.45 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3kqz h GLU 200 Cb 1.30 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 3kqz h GLU 200 CO 0.58 -0.11 0.03 0.00 -0.73 0.00 0.00 179.01 178.78 3kqz h ALA 201 N -1.46 1.18 -0.12 2.92 0.00 -1.96 -1.11 119.26 118.71 3kqz h ALA 201 Ca -0.01 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3kqz h ALA 201 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kqz h ALA 201 CO -0.04 -0.03 -0.43 -0.44 0.00 0.00 0.00 179.25 178.31 3kqz h ASP 202 N 0.00 0.60 -0.66 0.00 3.45 -1.80 -2.64 116.42 115.37 3kqz h ASP 202 Ca 0.00 -0.61 0.02 0.00 0.43 0.00 0.00 57.03 56.87 3kqz h ASP 202 Cb 0.06 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 38.61 3kqz h ASP 202 CO -0.00 1.11 0.42 -0.03 -1.57 0.00 0.00 179.24 179.17 3kqz h MET 203 N 0.12 0.81 -0.61 3.56 4.05 0.26 -0.76 114.93 122.36 3kqz h MET 203 Ca -0.02 -0.05 0.13 0.00 -0.28 0.00 0.00 59.70 59.48 3kqz h MET 203 Cb 1.06 -0.18 -0.10 0.00 -0.80 0.00 0.00 31.60 31.58 3kqz h MET 203 CO 0.09 0.54 0.02 -0.22 0.23 0.00 0.00 176.91 177.57 3kqz h LYS 204 N 0.84 0.13 0.00 0.39 3.64 -1.37 0.28 116.57 120.48 3kqz h LYS 204 Ca 0.26 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 3kqz h LYS 204 Cb -0.02 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3kqz h LYS 204 CO -0.09 0.09 -0.20 0.00 -2.27 0.00 0.00 179.45 176.98 3kqz h ARG 205 N 0.14 0.00 0.02 1.90 3.08 -0.85 0.20 114.38 118.87 3kqz h ARG 205 Ca 0.32 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.37 3kqz h ARG 205 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3kqz h ARG 205 CO -0.51 0.20 -0.01 0.28 -1.07 0.00 0.00 179.97 178.86 3kqz h VAL 206 N 0.00 1.31 -0.13 2.04 2.07 0.32 -2.84 116.25 119.01 3kqz h VAL 206 Ca -0.00 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.50 3kqz h VAL 206 Cb 0.36 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 3kqz h VAL 206 CO 0.03 0.27 -0.11 0.58 0.02 0.00 0.00 177.57 178.36 3kqz h VAL 207 N -0.49 0.69 -0.88 2.57 2.07 0.05 -1.27 116.25 118.99 3kqz h VAL 207 Ca -0.00 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.70 3kqz h VAL 207 Cb 0.47 0.69 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 3kqz h VAL 207 CO 0.01 0.00 0.41 -0.07 0.02 0.00 0.00 177.57 177.94 3kqz h LEU 208 N -0.12 0.42 -0.78 2.57 -0.00 -0.72 0.29 115.31 116.98 3kqz h LEU 208 Ca 0.09 0.13 -0.07 0.00 -0.00 0.00 0.00 57.88 58.03 3kqz h LEU 208 Cb 0.24 0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.95 3kqz h LEU 208 CO -0.20 0.10 0.18 0.28 -0.00 0.00 0.00 178.44 178.79 3kqz h SER 209 N 0.50 1.03 -0.64 -0.43 0.02 -1.10 -2.34 113.55 110.60 3kqz h SER 209 Ca 0.52 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 61.19 3kqz h SER 209 Cb 0.88 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 3kqz h SER 209 CO -0.45 0.99 0.17 -0.07 -1.14 0.00 0.00 176.83 176.32 3kqz h LEU 210 N 1.04 0.97 -0.93 5.07 3.38 0.59 -2.66 115.31 122.77 3kqz h LEU 210 Ca 0.22 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3kqz h LEU 210 Cb 0.35 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kqz h LEU 210 CO 0.00 0.93 -0.49 0.58 0.09 0.00 0.00 178.44 179.56 3kqz h VAL 211 N 0.99 1.20 -0.85 1.22 2.07 -0.78 -2.00 116.25 118.11 3kqz h VAL 211 Ca 0.21 -1.75 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 3kqz h VAL 211 Cb 0.34 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3kqz h VAL 211 CO -0.00 0.48 0.41 0.74 0.02 0.00 0.00 177.57 179.22 3kqz h THR 212 N 0.00 1.26 0.00 2.57 2.02 -1.09 -1.30 112.91 116.37 3kqz h THR 212 Ca -0.00 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 66.37 3kqz h THR 212 Cb 0.94 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3kqz h THR 212 CO 0.06 0.31 -0.43 0.24 0.37 0.00 0.00 175.52 176.08 3kqz h MET 213 N 1.20 0.00 0.00 6.66 2.07 -1.16 -2.75 114.93 120.95 3kqz h MET 213 Ca 0.29 0.00 -0.16 0.00 -2.07 0.00 0.00 59.70 57.76 3kqz h MET 213 Cb 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.81 3kqz h MET 213 CO -0.04 0.43 -0.75 -0.07 1.07 0.00 0.00 176.91 177.54 3kqz h LEU 214 N 0.00 0.00 0.00 1.22 3.38 -0.87 -3.27 115.31 115.77 3kqz h LEU 214 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3kqz h LEU 214 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3kqz h LEU 214 CO 0.06 0.75 -0.51 0.45 0.09 0.00 0.00 178.44 179.28 3kqz h HIS 215 N 0.00 0.00 0.06 1.13 3.86 -1.12 -3.33 115.15 115.75 3kqz h HIS 215 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3kqz h HIS 215 Cb 1.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.01 3kqz h HIS 215 CO 0.00 0.15 -0.03 -0.44 0.86 0.00 0.00 177.93 178.47 3kqz h ASP 216 N 0.00 -0.07 -3.93 2.45 3.32 -1.54 -3.46 116.42 113.20 3kqz h ASP 216 Ca -0.02 -0.30 -0.69 0.00 0.02 0.00 0.00 57.03 56.04 3kqz h ASP 216 Cb 1.13 0.02 -0.22 0.00 0.22 0.00 0.00 39.33 40.48 3kqz h ASP 216 CO 0.02 0.27 -0.85 0.54 -1.72 0.00 0.00 179.24 177.50 3kqz s ASN 217 N -5.44 3.49 -0.42 6.45 4.22 -1.25 -5.08 114.94 116.91 3kqz s ASN 217 Ca -0.15 -0.64 -0.29 0.00 -2.14 0.00 0.00 52.86 49.64 3kqz s ASN 217 Cb 0.03 -0.35 0.02 0.00 1.28 0.00 0.00 41.25 42.22 3kqz s ASN 217 CO 0.64 0.20 1.21 -0.54 -2.04 0.00 0.00 177.10 176.58 3kqz s LYS 218 N -1.89 3.77 -0.00 3.55 1.02 -1.26 -4.89 119.74 120.03 3kqz s LYS 218 Ca 0.15 0.82 0.02 0.00 0.02 0.00 0.00 55.97 56.98 3kqz s LYS 218 Cb -0.10 -3.90 -0.01 0.00 -0.52 0.00 0.00 37.83 33.30 3kqz s LYS 218 CO 0.06 -1.32 -0.07 -0.51 -0.92 0.00 0.00 175.35 172.59 3kqz s LEU 219 N 4.54 2.02 -0.05 3.17 1.43 -1.26 -5.05 118.68 123.48 3kqz s LEU 219 Ca 0.52 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.40 3kqz s LEU 219 Cb -0.11 -0.38 -0.28 0.00 0.03 0.00 0.00 46.19 45.46 3kqz s LEU 219 CO 0.28 0.08 0.64 0.77 0.23 0.00 0.00 176.35 178.35 3kqz h SER 220 N 5.90 0.47 -3.93 2.29 4.64 -1.94 -3.29 113.55 117.69 3kqz h SER 220 Ca -0.30 -0.78 -0.42 0.00 -0.47 0.00 0.00 61.79 59.82 3kqz h SER 220 Cb 1.19 -0.15 -0.30 0.00 -0.31 0.00 0.00 62.40 62.82 3kqz h SER 220 CO 0.49 1.67 -0.79 -0.75 -0.87 0.00 0.00 176.83 176.59 3kqz s LYS 221 N -2.58 0.90 -0.14 4.77 2.20 -1.26 -0.48 119.74 123.14 3kqz s LYS 221 Ca -0.15 -0.33 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 3kqz s LYS 221 Cb 0.06 -0.85 -0.02 0.00 -1.51 0.00 0.00 37.83 35.51 3kqz s LYS 221 CO 0.83 0.16 -0.07 -1.17 -0.36 0.00 0.00 175.35 174.74 3kqz s LEU 222 N -0.00 3.08 -0.13 5.43 2.96 -0.03 -0.68 118.68 129.31 3kqz s LEU 222 Ca 0.00 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 3kqz s LEU 222 Cb -0.06 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 3kqz s LEU 222 CO 0.00 0.18 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.16 3kqz s THR 223 N 0.27 2.67 -0.19 3.68 2.01 0.19 -0.53 115.64 123.74 3kqz s THR 223 Ca -0.05 -0.79 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 3kqz s THR 223 Cb -0.14 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 70.27 3kqz s THR 223 CO 0.04 0.53 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 3kqz s VAL 224 N 0.48 2.78 -0.38 3.82 1.01 0.64 -0.01 120.40 128.73 3kqz s VAL 224 Ca -0.12 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 3kqz s VAL 224 Cb -0.16 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.03 3kqz s VAL 224 CO 0.05 0.48 0.20 -0.69 0.00 0.00 0.00 175.10 175.15 3kqz s VAL 225 N 1.25 4.49 -0.84 2.92 1.01 0.17 0.20 120.40 129.60 3kqz s VAL 225 Ca 0.03 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 3kqz s VAL 225 Cb -0.14 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.74 3kqz s VAL 225 CO -0.06 -0.26 1.41 -0.36 0.00 0.00 0.00 175.10 175.84 3kqz s PHE 226 N 1.53 2.30 -0.34 5.22 0.40 0.44 -0.99 117.98 126.54 3kqz s PHE 226 Ca 0.02 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 3kqz s PHE 226 Cb -0.20 -4.59 0.34 0.00 0.51 0.00 0.00 43.02 39.09 3kqz s PHE 226 CO 0.06 -2.03 1.79 0.39 0.70 0.00 0.00 175.22 176.13 3kqz n GLU 227 N 9.17 1.89 -4.19 0.44 1.02 -0.96 -4.70 120.64 123.32 3kqz n GLU 227 Ca 0.16 -1.91 -0.11 0.00 -0.02 0.00 0.00 57.16 55.28 3kqz n GLU 227 Cb 0.50 -1.75 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 3kqz n GLU 227 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kqz s ILE 228 N -2.47 0.51 -0.10 -3.67 -4.36 -1.24 -4.36 121.20 105.50 3kqz s ILE 228 Ca 0.37 -1.94 -0.19 0.00 -0.26 0.00 0.00 60.65 58.63 3kqz s ILE 228 Cb 0.30 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 42.01 3kqz s ILE 228 CO 0.03 -0.60 0.51 0.20 0.24 0.00 0.00 174.94 175.32 3kqz s ASN 229 N -3.10 6.74 -0.03 4.36 -0.87 -1.26 -4.98 114.94 115.80 3kqz s ASN 229 Ca 0.20 0.88 -0.00 0.00 -1.57 0.00 0.00 52.86 52.37 3kqz s ASN 229 Cb 0.06 -2.30 0.03 0.00 -0.02 0.00 0.00 41.25 39.02 3kqz s ASN 229 CO 0.00 0.00 0.05 0.68 -2.57 0.00 0.00 177.10 175.27 3kqz s VAL 230 N 0.54 -0.05 1.19 1.60 -7.23 -1.26 -4.70 120.40 110.48 3kqz s VAL 230 Ca 0.28 0.20 -0.17 0.00 -1.81 0.00 0.00 61.98 60.47 3kqz s VAL 230 Cb -0.16 -0.10 0.28 0.00 0.56 0.00 0.00 36.38 36.96 3kqz s VAL 230 CO 0.12 0.08 1.06 1.51 -0.31 0.00 0.00 175.10 177.56 3kqz s ASP 231 N 1.01 0.95 0.34 4.85 3.84 -1.26 -4.78 116.67 121.63 3kqz s ASP 231 Ca -0.08 0.93 0.02 0.00 -0.00 0.00 0.00 52.55 53.42 3kqz s ASP 231 Cb -0.12 -1.38 0.61 0.00 -1.38 0.00 0.00 42.92 40.64 3kqz s ASP 231 CO -0.03 -4.14 1.97 0.11 -0.00 0.00 0.00 175.17 173.09 3kqz h LYS 232 N -2.58 0.80 -0.31 2.11 1.57 -1.99 -2.13 116.57 114.02 3kqz h LYS 232 Ca -0.50 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.06 3kqz h LYS 232 Cb 1.32 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3kqz h LYS 232 CO 0.42 0.57 -0.42 -0.97 -0.57 0.00 0.00 179.45 178.49 3kqz h ASN 233 N 0.81 0.83 1.66 0.86 -1.24 -1.94 -1.24 115.58 115.31 3kqz h ASN 233 Ca 0.21 -0.38 -0.04 0.00 0.71 0.00 0.00 56.30 56.79 3kqz h ASN 233 Cb -0.01 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 3kqz h ASN 233 CO -0.04 1.13 -0.35 0.25 -1.29 0.00 0.00 177.43 177.14 3kqz h LEU 234 N 0.63 0.00 0.00 0.34 5.85 -1.87 -1.27 115.31 118.99 3kqz h LEU 234 Ca 0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3kqz h LEU 234 Cb 0.98 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3kqz h LEU 234 CO 0.09 0.19 -0.00 0.15 -0.34 0.00 0.00 178.44 178.53 3kqz h PHE 235 N 0.00 -0.00 -0.53 1.25 3.57 -1.16 0.17 116.94 120.25 3kqz h PHE 235 Ca -0.01 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.57 3kqz h PHE 235 Cb 1.15 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.83 3kqz h PHE 235 CO 0.00 0.44 0.18 -0.09 -2.23 0.00 0.00 178.31 176.61 3kqz h ARG 236 N -0.44 0.34 -0.58 1.11 2.43 -1.17 -0.43 114.38 115.64 3kqz h ARG 236 Ca -0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3kqz h ARG 236 Cb 0.44 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3kqz h ARG 236 CO 0.00 0.23 0.38 0.35 -1.51 0.00 0.00 179.97 179.41 3kqz h PHE 237 N 0.35 0.71 -0.71 2.20 3.57 -1.22 0.19 116.94 122.05 3kqz h PHE 237 Ca 0.26 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.89 3kqz h PHE 237 Cb 0.31 -0.24 -0.08 0.00 2.79 0.00 0.00 35.95 38.73 3kqz h PHE 237 CO -0.17 0.44 0.32 0.35 -2.23 0.00 0.00 178.31 177.02 3kqz h PHE 238 N 0.77 0.57 0.05 0.41 3.57 -0.31 0.90 116.94 122.89 3kqz h PHE 238 Ca 0.22 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3kqz h PHE 238 Cb -0.07 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.52 3kqz h PHE 238 CO -0.04 0.17 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.11 3kqz h LEU 239 N 0.53 -0.06 -0.68 0.59 3.38 -0.62 -1.16 115.31 117.29 3kqz h LEU 239 Ca 0.36 -0.54 0.15 0.00 0.09 0.00 0.00 57.88 57.94 3kqz h LEU 239 Cb 0.44 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.09 3kqz h LEU 239 CO -0.31 0.54 0.01 -0.33 0.09 0.00 0.00 178.44 178.45 3kqz h GLU 240 N -0.69 0.12 -0.23 1.13 5.08 -0.45 0.27 114.58 119.81 3kqz h GLU 240 Ca -0.01 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3kqz h GLU 240 Cb 0.59 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3kqz h GLU 240 CO 0.01 0.08 -0.31 1.15 -1.00 0.00 0.00 179.01 178.94 3kqz h THR 241 N 0.12 1.28 -0.23 1.13 2.02 -0.81 -0.74 112.91 115.68 3kqz h THR 241 Ca 0.37 -1.39 -0.11 0.00 0.77 0.00 0.00 66.41 66.05 3kqz h THR 241 Cb 0.62 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3kqz h THR 241 CO -0.58 0.44 -0.28 0.25 0.37 0.00 0.00 175.52 175.71 3kqz h LEU 242 N 0.41 0.65 -0.14 2.58 5.85 0.53 0.50 115.31 125.69 3kqz h LEU 242 Ca 0.05 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 3kqz h LEU 242 Cb 0.75 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3kqz h LEU 242 CO 0.06 1.01 0.07 -0.26 -0.34 0.00 0.00 178.44 178.99 3kqz h PHE 243 N 0.30 0.20 -0.27 1.25 0.04 -0.51 -0.45 116.94 117.51 3kqz h PHE 243 Ca 0.03 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3kqz h PHE 243 Cb 0.85 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 3kqz h PHE 243 CO 0.08 0.22 0.04 -0.92 -0.60 0.00 0.00 178.31 177.13 3kqz h TYR 244 N 0.12 0.47 0.00 -0.55 3.20 -0.98 0.94 116.97 120.17 3kqz h TYR 244 Ca 0.05 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3kqz h TYR 244 Cb 0.09 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3kqz h TYR 244 CO -0.04 0.55 -0.31 0.93 -1.64 0.00 0.00 178.16 177.65 3kqz h GLU 245 N 0.26 0.00 0.21 1.82 4.39 -0.84 -3.04 114.58 117.38 3kqz h GLU 245 Ca 0.08 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.44 3kqz h GLU 245 Cb 0.33 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3kqz h GLU 245 CO 0.01 0.31 -1.58 -0.92 -1.16 0.00 0.00 179.01 175.67 3kqz h TYR 246 N 0.00 0.82 -3.33 4.33 3.20 -0.43 -3.44 116.97 118.11 3kqz h TYR 246 Ca -0.00 -0.60 -0.53 0.00 3.14 0.00 0.00 58.73 60.74 3kqz h TYR 246 Cb 0.72 -0.03 0.08 0.00 1.54 0.00 0.00 36.73 39.04 3kqz h TYR 246 CO 0.00 1.58 0.89 1.41 -1.64 0.00 0.00 178.16 180.39 3kqz s MET 247 N -2.60 4.12 -0.11 1.82 1.75 0.27 -5.00 119.30 119.55 3kqz s MET 247 Ca -0.11 2.58 0.02 0.00 -1.25 0.00 0.00 55.69 56.92 3kqz s MET 247 Cb 0.05 -3.02 0.01 0.00 2.84 0.00 0.00 34.83 34.71 3kqz s MET 247 CO 0.90 -0.63 -0.16 0.99 -0.65 0.00 0.00 175.02 175.48 3kqz s THR 248 N -0.01 1.53 -0.48 10.11 2.01 -1.26 -4.96 115.64 122.59 3kqz s THR 248 Ca 0.63 -0.66 -0.23 0.00 0.31 0.00 0.00 61.69 61.73 3kqz s THR 248 Cb -0.48 -1.40 0.03 0.00 0.01 0.00 0.00 72.50 70.67 3kqz s THR 248 CO 0.48 0.45 0.82 -0.62 -0.69 0.00 0.00 174.62 175.06 3kqz s ASP 249 N 0.98 6.39 0.00 3.53 -1.08 -1.26 -4.85 116.67 120.37 3kqz s ASP 249 Ca -0.07 -0.21 0.07 0.00 -0.52 0.00 0.00 52.55 51.83 3kqz s ASP 249 Cb -0.15 -2.40 0.18 0.00 -1.46 0.00 0.00 42.92 39.09 3kqz s ASP 249 CO -0.02 -1.00 1.08 -0.62 0.52 0.00 0.00 175.17 175.14 3kqz n GLU 250 N 6.89 2.29 -0.18 4.34 -0.58 -1.26 -4.69 120.64 127.45 3kqz n GLU 250 Ca 0.02 -1.68 0.30 0.00 -0.42 0.00 0.00 57.16 55.37 3kqz n GLU 250 Cb 0.48 -1.18 0.72 0.00 -0.57 0.00 0.00 31.44 30.89 3kqz n GLU 250 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kqz h ARG 251 N 1.42 0.00 -0.31 3.49 3.08 -1.97 -2.24 114.38 117.85 3kqz h ARG 251 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kqz h ARG 251 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3kqz h ARG 251 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 3kqz n PHE 252 N -4.03 0.55 -3.08 3.04 3.01 -1.26 -4.94 117.46 110.75 3kqz n PHE 252 Ca 0.19 -0.59 -0.31 0.00 1.01 0.00 0.00 57.45 57.75 3kqz n PHE 252 Cb 1.05 -0.10 -0.05 0.00 -0.01 0.00 0.00 39.48 40.37 3kqz n PHE 252 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kqz s LYS 253 N -1.45 3.85 -0.05 -1.08 -0.14 -0.84 -5.26 119.74 114.77 3kqz s LYS 253 Ca 0.27 0.47 0.06 0.00 -1.36 0.00 0.00 55.97 55.41 3kqz s LYS 253 Cb 0.17 -2.46 0.26 0.00 -1.68 0.00 0.00 37.83 34.11 3kqz s LYS 253 CO 0.13 0.11 1.03 -1.13 -0.76 0.00 0.00 175.35 174.73 3kqz n SER 254 N -0.75 2.09 0.00 2.83 3.41 -1.26 -5.08 113.62 114.85 3kqz n SER 254 Ca 0.02 -2.19 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 3kqz n SER 254 Cb 0.53 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3kqz n SER 254 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kqz n TYR 263 N 0.22 0.00 -1.32 7.33 4.01 -1.26 -5.20 117.16 120.94 3kqz n TYR 263 Ca 0.09 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.48 3kqz n TYR 263 Cb 0.42 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.54 3kqz n TYR 263 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 3kqz n ILE 264 N -0.16 2.62 -0.02 -0.72 -5.35 -1.24 -4.89 119.36 109.60 3kqz n ILE 264 Ca 0.00 -0.36 0.06 0.00 -0.27 0.00 0.00 62.75 62.19 3kqz n ILE 264 Cb 0.00 -1.07 -0.13 0.00 -1.74 0.00 0.00 39.64 36.70 3kqz n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kqz n LYS 265 N -1.88 0.62 -4.35 6.28 5.02 0.37 -4.57 118.16 119.67 3kqz n LYS 265 Ca 0.13 -0.13 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 3kqz n LYS 265 Cb 0.50 -1.39 -0.16 0.00 -0.02 0.00 0.00 35.03 33.95 3kqz n LYS 265 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kqz s HIS 266 N -3.06 0.97 -0.20 2.13 3.76 -0.67 -0.67 115.29 117.55 3kqz s HIS 266 Ca -0.06 -0.28 -0.01 0.00 -0.15 0.00 0.00 55.06 54.56 3kqz s HIS 266 Cb 0.10 -0.74 0.01 0.00 1.11 0.00 0.00 32.58 33.06 3kqz s HIS 266 CO 0.68 -0.17 -0.14 -1.17 -0.85 0.00 0.00 174.74 173.10 3kqz s LEU 267 N 0.54 2.46 -0.08 0.89 2.96 0.14 -0.85 118.68 124.74 3kqz s LEU 267 Ca -0.09 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.22 3kqz s LEU 267 Cb -0.12 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3kqz s LEU 267 CO 0.01 -0.02 -0.01 -0.83 -1.32 0.00 0.00 176.35 174.18 3kqz s GLY 268 N 1.35 1.82 -0.13 7.98 0.00 0.30 -0.76 107.32 117.88 3kqz s GLY 268 Ca 0.05 -0.82 -0.00 0.00 0.00 0.00 0.00 44.72 43.94 3kqz s GLY 268 CO -0.09 -0.58 -0.08 0.14 0.00 0.00 0.00 173.10 172.48 3kqz s VAL 269 N -0.86 1.14 -0.25 1.40 1.01 0.31 -0.26 120.40 122.89 3kqz s VAL 269 Ca 0.13 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 3kqz s VAL 269 Cb -0.11 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 3kqz s VAL 269 CO 0.02 0.33 0.22 -0.31 0.00 0.00 0.00 175.10 175.36 3kqz s TYR 270 N 1.65 3.29 -0.10 5.22 1.51 0.13 -0.51 117.35 128.54 3kqz s TYR 270 Ca 0.04 0.26 -0.15 0.00 -1.01 0.00 0.00 57.07 56.21 3kqz s TYR 270 Cb -0.13 -2.36 0.04 0.00 -0.11 0.00 0.00 41.96 39.39 3kqz s TYR 270 CO -0.09 -0.03 0.39 -1.50 -1.11 0.00 0.00 175.55 173.21 3kqz s ILE 271 N 1.38 0.02 0.35 2.71 2.07 -0.72 -0.42 121.20 126.58 3kqz s ILE 271 Ca 0.09 -0.16 -0.28 0.00 -1.41 0.00 0.00 60.65 58.90 3kqz s ILE 271 Cb -0.15 -0.60 -0.10 0.00 0.13 0.00 0.00 42.46 41.74 3kqz s ILE 271 CO 0.07 -0.09 1.27 0.21 -1.91 0.00 0.00 174.94 174.49 3kqz s ASN 272 N -0.37 6.71 -1.36 4.50 3.84 -1.26 -2.39 114.94 124.61 3kqz s ASN 272 Ca -0.05 2.60 -0.02 0.00 0.21 0.00 0.00 52.86 55.60 3kqz s ASN 272 Cb -0.03 -2.64 0.01 0.00 -0.55 0.00 0.00 41.25 38.04 3kqz s ASN 272 CO 0.02 -0.57 0.67 0.59 -2.79 0.00 0.00 177.10 175.02 3kqz n ASN 273 N 0.62 -1.38 -0.34 -4.21 3.02 -1.26 -4.86 115.26 106.84 3kqz n ASN 273 Ca 0.01 -0.86 0.21 0.00 -0.03 0.00 0.00 54.58 53.92 3kqz n ASN 273 Cb 0.43 -3.81 0.44 0.00 -0.61 0.00 0.00 39.78 36.24 3kqz n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqz h ALA 274 N 0.87 1.94 0.00 5.41 0.00 -1.81 -1.05 119.26 124.62 3kqz h ALA 274 Ca -0.61 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3kqz h ALA 274 Cb 1.36 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3kqz h ALA 274 CO 0.59 -0.47 -0.13 -0.44 0.00 0.00 0.00 179.25 178.80 3kqz h ASP 275 N 0.45 0.00 -0.21 0.00 3.32 -1.90 0.09 116.42 118.17 3kqz h ASP 275 Ca 0.68 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.63 3kqz h ASP 275 Cb 1.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 3kqz h ASP 275 CO -0.50 0.13 -0.22 0.71 -1.72 0.00 0.00 179.24 177.64 3kqz h THR 276 N 0.00 1.27 0.00 0.35 1.35 -1.55 -3.33 112.91 110.99 3kqz h THR 276 Ca -0.00 -1.29 -0.06 0.00 -0.55 0.00 0.00 66.41 64.51 3kqz h THR 276 Cb 0.26 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 3kqz h THR 276 CO 0.02 0.42 -0.83 1.88 -0.25 0.00 0.00 175.52 176.76 3kqz h TYR 277 N 0.59 0.00 -0.89 4.73 0.05 -1.11 -3.35 116.97 116.99 3kqz h TYR 277 Ca 0.09 0.00 0.18 0.00 0.05 0.00 0.00 58.73 59.05 3kqz h TYR 277 Cb 0.69 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.32 3kqz h TYR 277 CO 0.03 0.21 0.45 0.87 -1.05 0.00 0.00 178.16 178.67 3kqz h LYS 278 N 0.00 0.55 -0.59 4.88 1.57 -1.39 0.50 116.57 122.09 3kqz h LYS 278 Ca -0.04 -0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.88 3kqz h LYS 278 Cb 1.19 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 3kqz h LYS 278 CO 0.02 0.36 0.42 0.93 -0.57 0.00 0.00 179.45 180.61 3kqz h GLU 279 N 0.56 0.01 0.00 3.15 5.08 -1.79 -1.02 114.58 120.57 3kqz h GLU 279 Ca 0.52 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.81 3kqz h GLU 279 Cb 0.86 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3kqz h GLU 279 CO -0.43 0.00 -0.34 0.93 -1.00 0.00 0.00 179.01 178.18 3kqz h GLU 280 N 0.01 0.00 0.19 2.33 4.39 -1.13 -3.34 114.58 117.02 3kqz h GLU 280 Ca 0.28 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 3kqz h GLU 280 Cb 1.12 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3kqz h GLU 280 CO -0.00 0.34 -0.11 0.28 -1.16 0.00 0.00 179.01 178.35 3kqz h VAL 281 N 0.00 0.77 0.00 3.13 2.07 -1.20 -0.15 116.25 120.87 3kqz h VAL 281 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3kqz h VAL 281 Cb 0.88 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3kqz h VAL 281 CO 0.04 0.00 -0.11 -0.33 0.02 0.00 0.00 177.57 177.20 3kqz h GLU 282 N -0.28 0.00 -0.36 1.57 4.39 -1.75 -2.02 114.58 116.13 3kqz h GLU 282 Ca -0.02 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 3kqz h GLU 282 Cb 0.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3kqz h GLU 282 CO 0.02 0.11 -0.35 -0.22 -1.16 0.00 0.00 179.01 177.41 3kqz h LYS 283 N 0.00 0.85 -0.44 2.33 3.64 -1.59 -2.09 116.57 119.26 3kqz h LYS 283 Ca -0.00 -0.42 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 3kqz h LYS 283 Cb 0.95 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 3kqz h LYS 283 CO 0.01 1.06 0.18 0.00 -2.27 0.00 0.00 179.45 178.44 3kqz h ALA 284 N 0.89 0.57 -0.59 5.00 0.00 -0.67 0.35 119.26 124.81 3kqz h ALA 284 Ca 0.07 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3kqz h ALA 284 Cb 0.92 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3kqz h ALA 284 CO 0.08 0.17 0.10 -0.09 0.00 0.00 0.00 179.25 179.51 3kqz h ARG 285 N 0.57 0.96 -0.12 0.00 2.43 -1.26 0.63 114.38 117.58 3kqz h ARG 285 Ca 0.15 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 3kqz h ARG 285 Cb 0.18 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3kqz h ARG 285 CO -0.01 0.89 -0.17 0.28 -1.51 0.00 0.00 179.97 179.45 3kqz h VAL 286 N 0.91 1.37 -0.56 0.20 2.07 -1.25 -1.29 116.25 117.69 3kqz h VAL 286 Ca 0.19 -1.38 0.06 0.00 0.82 0.00 0.00 66.70 66.39 3kqz h VAL 286 Cb 0.40 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 3kqz h VAL 286 CO 0.01 0.40 0.26 1.88 0.02 0.00 0.00 177.57 180.14 3kqz h TYR 287 N -0.07 0.46 -0.54 1.57 -1.99 -0.27 -0.10 116.97 116.04 3kqz h TYR 287 Ca 0.01 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 3kqz h TYR 287 Cb 0.72 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 39.30 3kqz h TYR 287 CO 0.09 0.19 0.31 -0.92 -0.00 0.00 0.00 178.16 177.83 3kqz h TYR 288 N 0.49 0.72 -0.18 4.88 3.20 0.30 -1.96 116.97 124.42 3kqz h TYR 288 Ca 0.26 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.01 3kqz h TYR 288 Cb 0.22 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3kqz h TYR 288 CO -0.12 0.52 -0.36 0.35 -1.64 0.00 0.00 178.16 176.91 3kqz h PHE 289 N 0.72 0.43 -0.70 -3.82 3.57 -0.35 0.25 116.94 117.04 3kqz h PHE 289 Ca 0.19 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3kqz h PHE 289 Cb 0.02 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3kqz h PHE 289 CO -0.02 0.69 0.41 0.78 -2.23 0.00 0.00 178.31 177.94 3kqz h GLY 290 N 1.11 1.02 0.60 2.40 0.00 -0.50 0.45 103.07 108.16 3kqz h GLY 290 Ca 0.04 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 3kqz h GLY 290 CO 0.06 0.41 -0.51 -0.84 0.00 0.00 0.00 176.54 175.66 3kqz h THR 291 N 0.97 1.51 -0.43 4.70 2.02 -0.93 -2.12 112.91 118.62 3kqz h THR 291 Ca 0.25 -2.18 -0.09 0.00 0.77 0.00 0.00 66.41 65.17 3kqz h THR 291 Cb -0.02 2.86 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 3kqz h THR 291 CO -0.05 0.61 -0.08 0.22 0.37 0.00 0.00 175.52 176.60 3kqz h TYR 292 N -0.35 0.82 0.03 3.16 3.20 -0.24 0.28 116.97 123.86 3kqz h TYR 292 Ca -0.07 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 3kqz h TYR 292 Cb 1.28 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.34 3kqz h TYR 292 CO 0.18 0.81 -0.01 -0.92 -1.64 0.00 0.00 178.16 176.57 3kqz h TYR 293 N 0.69 -0.03 -0.27 -3.82 3.20 -0.11 0.73 116.97 117.35 3kqz h TYR 293 Ca 0.12 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.01 3kqz h TYR 293 Cb 0.54 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3kqz h TYR 293 CO 0.03 0.02 0.14 0.00 -1.64 0.00 0.00 178.16 176.71 3kqz h ALA 294 N 0.90 0.33 -0.50 1.82 0.00 -1.20 -1.93 119.26 118.69 3kqz h ALA 294 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3kqz h ALA 294 Cb 0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 3kqz h ALA 294 CO 0.01 -0.24 0.02 1.03 0.00 0.00 0.00 179.25 180.06 3kqz h SER 295 N 0.30 -0.18 -0.87 0.00 0.87 -0.81 0.10 113.55 112.97 3kqz h SER 295 Ca 0.11 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3kqz h SER 295 Cb 0.02 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 3kqz h SER 295 CO -0.07 -0.06 0.56 1.56 -0.53 0.00 0.00 176.83 178.30 3kqz h GLN 296 N 0.13 1.16 -0.34 2.24 4.20 -0.15 0.12 115.11 122.48 3kqz h GLN 296 Ca 0.25 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 3kqz h GLN 296 Cb 0.38 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3kqz h GLN 296 CO -0.40 0.79 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.24 3kqz h LEU 297 N 1.19 0.79 0.47 1.46 3.38 -0.65 -1.90 115.31 120.05 3kqz h LEU 297 Ca 0.32 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3kqz h LEU 297 Cb -0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3kqz h LEU 297 CO -0.07 1.06 -0.29 0.40 0.09 0.00 0.00 178.44 179.63 3kqz h ILE 298 N 0.53 0.40 -0.79 1.22 2.04 -0.24 -3.25 117.51 117.41 3kqz h ILE 298 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 3kqz h ILE 298 Cb 0.79 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3kqz h ILE 298 CO 0.06 0.00 0.52 0.00 0.00 0.00 0.00 178.15 178.73 3kqz h ALA 299 N -0.25 1.51 -1.62 1.87 0.00 -0.83 -3.41 119.26 116.53 3kqz h ALA 299 Ca -0.05 -0.04 -0.71 0.00 0.00 0.00 0.00 54.91 54.10 3kqz h ALA 299 Cb 0.60 -0.28 0.03 0.00 0.00 0.00 0.00 17.79 18.13 3kqz h ALA 299 CO 0.05 0.42 0.75 0.00 0.00 0.00 0.00 179.25 180.47 3kqz n ALA 300 N -2.42 -0.41 -1.15 0.00 0.00 -0.71 -4.92 120.51 110.89 3kqz n ALA 300 Ca 0.10 0.43 -0.30 0.00 0.00 0.00 0.00 53.44 53.67 3kqz n ALA 300 Cb 0.10 -2.18 0.15 0.00 0.00 0.00 0.00 19.45 17.51 3kqz n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kqz s PRO 301 N 2.46 1.13 0.20 0.00 0.02 -1.26 -4.63 135.00 132.92 3kqz s PRO 301 Ca 0.93 0.84 0.23 0.00 0.02 0.00 0.00 61.00 63.02 3kqz s PRO 301 Cb -1.01 -1.79 0.91 0.00 0.02 0.00 0.00 34.50 32.63 3kqz s PRO 301 CO 0.58 -2.34 1.70 0.43 -0.33 0.00 0.00 177.00 177.04 3kqz n SER 302 N -3.95 0.58 0.12 2.53 7.64 -1.26 0.30 113.62 119.57 3kqz n SER 302 Ca 0.07 0.62 0.02 0.00 1.01 0.00 0.00 58.87 60.59 3kqz n SER 302 Cb 0.55 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 3kqz n SER 302 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3kqz h ASN 303 N 0.00 0.00 0.14 6.43 -1.07 -1.94 -3.33 115.58 115.82 3kqz h ASN 303 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.07 3kqz h ASN 303 Cb 0.42 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.67 3kqz h ASN 303 CO 0.00 0.50 -1.54 1.88 0.07 0.00 0.00 177.43 178.34 3kqz h TYR 304 N 0.00 0.53 -3.46 4.14 0.05 -1.31 -3.40 116.97 113.52 3kqz h TYR 304 Ca -0.04 -0.39 -0.71 0.00 0.05 0.00 0.00 58.73 57.64 3kqz h TYR 304 Cb 1.41 -0.02 -0.32 0.00 1.01 0.00 0.00 36.73 38.81 3kqz h TYR 304 CO 0.00 1.60 -0.38 0.00 -1.05 0.00 0.00 178.16 178.33 3kqz s ASN 306 N 1.82 1.79 0.45 0.00 2.20 -1.26 -4.35 114.94 115.59 3kqz s ASN 306 Ca 0.11 -1.46 0.11 0.00 -0.94 0.00 0.00 52.86 50.67 3kqz s ASN 306 Cb -0.22 0.20 1.01 0.00 -2.00 0.00 0.00 41.25 40.24 3kqz s ASN 306 CO -0.03 -0.77 2.07 -0.65 -2.94 0.00 0.00 177.10 174.78 3kqz h PRO 307 N 2.19 0.36 0.00 3.55 0.11 -1.86 0.12 132.00 136.47 3kqz h PRO 307 Ca -0.37 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kqz h PRO 307 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kqz h PRO 307 CO 0.60 0.24 -0.00 0.28 -0.21 0.00 0.00 178.00 178.91 3kqz h VAL 308 N 0.37 1.53 -0.30 3.15 2.07 -1.94 -2.58 116.25 118.55 3kqz h VAL 308 Ca 0.13 -1.60 -0.09 0.00 0.82 0.00 0.00 66.70 65.95 3kqz h VAL 308 Cb 0.07 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3kqz h VAL 308 CO -0.03 0.41 -0.21 0.77 0.02 0.00 0.00 177.57 178.54 3kqz h SER 309 N -0.69 0.56 -0.04 0.57 4.64 -1.68 -0.72 113.55 116.19 3kqz h SER 309 Ca -0.00 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3kqz h SER 309 Cb 0.68 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3kqz h SER 309 CO 0.00 0.77 0.01 0.25 -0.87 0.00 0.00 176.83 176.99 3kqz h LEU 310 N 0.50 0.06 -1.44 5.97 5.85 -0.89 -0.98 115.31 124.38 3kqz h LEU 310 Ca 0.08 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 3kqz h LEU 310 Cb 0.64 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3kqz h LEU 310 CO 0.05 0.31 -0.26 0.77 -0.34 0.00 0.00 178.44 178.97 3kqz h SER 311 N -0.18 0.03 0.19 1.25 4.64 -1.32 0.16 113.55 118.31 3kqz h SER 311 Ca 0.01 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 3kqz h SER 311 Cb 0.27 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3kqz h SER 311 CO 0.00 0.29 -0.18 0.78 -0.87 0.00 0.00 176.83 176.85 3kqz h ASN 312 N 0.03 0.00 0.37 4.97 2.35 -0.89 -1.30 115.58 121.12 3kqz h ASN 312 Ca 0.00 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.47 3kqz h ASN 312 Cb 0.47 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.86 3kqz h ASN 312 CO 0.03 0.18 -1.25 0.00 -1.65 0.00 0.00 177.43 174.75 3kqz h ALA 313 N 1.82 0.06 -0.08 -0.83 0.00 0.61 -1.85 119.26 118.99 3kqz h ALA 313 Ca -0.00 -0.82 0.04 0.00 0.00 0.00 0.00 54.91 54.12 3kqz h ALA 313 Cb 0.32 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3kqz h ALA 313 CO 0.02 0.81 -0.17 0.00 0.00 0.00 0.00 179.25 179.92 3kqz h ALA 314 N 0.44 -0.14 0.25 0.00 0.00 -0.63 0.22 119.26 119.40 3kqz h ALA 314 Ca -0.17 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kqz h ALA 314 Cb 1.94 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 20.02 3kqz h ALA 314 CO 0.22 -0.64 -0.31 0.28 0.00 0.00 0.00 179.25 178.81 3kqz h VAL 315 N -0.24 0.35 -0.77 0.00 2.07 -1.21 0.71 116.25 117.17 3kqz h VAL 315 Ca 0.08 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.74 3kqz h VAL 315 Cb 0.35 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 30.38 3kqz h VAL 315 CO -0.22 0.00 0.33 -0.08 0.02 0.00 0.00 177.57 177.62 3kqz h GLU 316 N -0.61 0.47 -0.45 1.57 4.81 -1.12 0.26 114.58 119.52 3kqz h GLU 316 Ca -0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3kqz h GLU 316 Cb 0.58 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3kqz h GLU 316 CO -0.10 0.31 0.12 1.25 -0.73 0.00 0.00 179.01 179.86 3kqz h LEU 317 N 0.49 0.67 -1.40 1.64 5.85 0.25 -0.19 115.31 122.63 3kqz h LEU 317 Ca 0.42 -0.23 0.13 0.00 0.84 0.00 0.00 57.88 59.04 3kqz h LEU 317 Cb 0.61 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 3kqz h LEU 317 CO -0.38 0.72 0.53 0.00 -0.34 0.00 0.00 178.44 178.97 3kqz h ALA 318 N 0.98 1.90 0.16 1.25 0.00 0.15 -1.93 119.26 121.77 3kqz h ALA 318 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.76 3kqz h ALA 318 Cb 0.31 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.00 3kqz h ALA 318 CO -0.00 -0.11 -1.29 1.96 0.00 0.00 0.00 179.25 179.81 3kqz h GLN 319 N 0.61 0.43 -0.59 0.00 4.20 0.41 -2.43 115.11 117.75 3kqz h GLN 319 Ca 0.40 -0.68 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 3kqz h GLN 319 Cb 0.68 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 3kqz h GLN 319 CO -0.16 1.31 0.31 0.87 -0.67 0.00 0.00 178.83 180.49 3kqz h LYS 320 N 0.15 0.83 0.00 1.46 1.57 -0.50 -3.41 116.57 116.67 3kqz h LYS 320 Ca -0.18 -0.10 -0.28 0.00 -1.87 0.00 0.00 60.65 58.22 3kqz h LYS 320 Cb 1.99 -0.16 0.10 0.00 0.08 0.00 0.00 32.23 34.23 3kqz h LYS 320 CO 0.23 0.64 0.21 1.28 -0.57 0.00 0.00 179.45 181.24 3kqz n LEU 321 N -4.57 0.00 -2.77 2.94 4.77 -0.78 -4.98 117.00 111.61 3kqz n LEU 321 Ca 0.04 -1.03 -0.31 0.00 -0.03 0.00 0.00 56.01 54.68 3kqz n LEU 321 Cb 0.09 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 3kqz n LEU 321 CO 0.37 -1.02 0.57 0.59 -1.33 0.00 0.00 177.39 176.57 3kqz n ASN 322 N -3.38 5.47 -4.77 -1.43 5.03 -1.26 -4.83 115.26 110.09 3kqz n ASN 322 Ca 0.10 -3.73 -0.39 0.00 0.87 0.00 0.00 54.58 51.43 3kqz n ASN 322 Cb 0.37 -0.67 -0.06 0.00 -1.02 0.00 0.00 39.78 38.40 3kqz n ASN 322 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kqz s LEU 323 N -3.71 4.47 0.56 3.41 1.43 -0.92 -5.00 118.68 118.94 3kqz s LEU 323 Ca 0.48 1.36 -0.20 0.00 -1.03 0.00 0.00 54.13 54.75 3kqz s LEU 323 Cb 0.36 -3.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 3kqz s LEU 323 CO -0.22 0.11 1.21 -1.61 0.23 0.00 0.00 176.35 176.08 3kqz s GLU 324 N -0.44 3.14 -0.05 1.70 8.01 -0.88 -4.63 118.70 125.55 3kqz s GLU 324 Ca 0.34 1.85 -0.15 0.00 0.01 0.00 0.00 54.97 57.02 3kqz s GLU 324 Cb -0.20 -2.04 0.03 0.00 -4.31 0.00 0.00 34.13 27.60 3kqz s GLU 324 CO 0.21 -1.07 0.33 1.52 0.01 0.00 0.00 175.26 176.26 3kqz s TYR 325 N -1.57 -0.25 0.03 1.61 -0.85 -1.26 -0.79 117.35 114.27 3kqz s TYR 325 Ca 0.74 0.47 0.01 0.00 -0.52 0.00 0.00 57.07 57.78 3kqz s TYR 325 Cb -0.31 0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.13 3kqz s TYR 325 CO 0.34 -0.35 -0.06 -1.59 -1.52 0.00 0.00 175.55 172.38 3kqz s LYS 326 N -0.94 0.45 -0.18 -3.49 -2.85 -0.27 -5.02 119.74 107.44 3kqz s LYS 326 Ca -0.10 -0.67 -0.03 0.00 -1.00 0.00 0.00 55.97 54.17 3kqz s LYS 326 Cb -0.04 -0.17 -0.02 0.00 -2.06 0.00 0.00 37.83 35.54 3kqz s LYS 326 CO 0.03 0.02 -0.06 0.42 0.10 0.00 0.00 175.35 175.87 3kqz s ILE 327 N -1.31 3.50 -0.15 3.79 -1.09 -1.26 -1.68 121.20 123.00 3kqz s ILE 327 Ca -0.11 -0.48 -0.18 0.00 -2.23 0.00 0.00 60.65 57.66 3kqz s ILE 327 Cb -0.09 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.20 3kqz s ILE 327 CO -0.00 0.47 0.48 -0.76 -1.23 0.00 0.00 174.94 173.89 3kqz s LEU 328 N 0.84 4.23 0.00 2.97 1.02 0.57 -4.92 118.68 123.39 3kqz s LEU 328 Ca -0.02 0.74 0.05 0.00 0.02 0.00 0.00 54.13 54.92 3kqz s LEU 328 Cb -0.15 -2.67 0.05 0.00 0.02 0.00 0.00 46.19 43.44 3kqz s LEU 328 CO 0.01 -0.06 0.45 0.61 0.02 0.00 0.00 176.35 177.38 3kqz n GLY 329 N 3.51 1.95 0.32 -3.19 0.00 -1.26 -0.31 105.19 106.21 3kqz n GLY 329 Ca -0.07 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.77 3kqz n GLY 329 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqz h VAL 330 N 0.06 1.05 -0.66 1.61 2.07 -1.96 0.04 116.25 118.45 3kqz h VAL 330 Ca -0.15 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3kqz h VAL 330 Cb 0.70 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3kqz h VAL 330 CO 0.22 0.18 0.40 0.50 0.02 0.00 0.00 177.57 178.89 3kqz h LYS 331 N 0.97 0.90 -0.10 1.57 3.11 -1.96 0.27 116.57 121.34 3kqz h LYS 331 Ca 0.37 -0.08 -0.21 0.00 -2.81 0.00 0.00 60.65 57.92 3kqz h LYS 331 Cb 0.16 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.20 3kqz h LYS 331 CO -0.17 0.64 -0.79 0.93 -2.81 0.00 0.00 179.45 177.25 3kqz h GLU 332 N 0.90 0.58 -0.85 1.90 3.07 -1.78 -2.32 114.58 116.08 3kqz h GLU 332 Ca 0.24 -0.50 -0.03 0.00 -0.50 0.00 0.00 59.36 58.57 3kqz h GLU 332 Cb -0.04 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 3kqz h GLU 332 CO -0.05 1.12 0.41 -0.07 -1.40 0.00 0.00 179.01 179.02 3kqz h LEU 333 N 0.39 1.12 -0.22 1.33 3.38 -0.74 0.56 115.31 121.14 3kqz h LEU 333 Ca -0.05 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3kqz h LEU 333 Cb 1.40 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3kqz h LEU 333 CO 0.15 0.95 0.13 -0.33 0.09 0.00 0.00 178.44 179.42 3kqz h GLU 334 N 1.22 0.26 -0.09 1.13 5.08 -0.32 -1.96 114.58 119.91 3kqz h GLU 334 Ca 0.29 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 3kqz h GLU 334 Cb 0.12 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3kqz h GLU 334 CO -0.04 0.17 -0.20 0.93 -1.00 0.00 0.00 179.01 178.87 3kqz h GLU 335 N 0.27 0.15 -0.04 2.33 5.08 -1.01 -0.31 114.58 121.04 3kqz h GLU 335 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kqz h GLU 335 Cb -0.01 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3kqz h GLU 335 CO -0.04 0.35 0.00 1.28 -1.00 0.00 0.00 179.01 179.61 3kqz n LEU 336 N -4.24 0.96 -2.99 1.33 4.77 0.15 -4.92 117.00 112.07 3kqz n LEU 336 Ca -0.01 -0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 55.42 3kqz n LEU 336 Cb 0.30 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.43 3kqz n LEU 336 CO 0.38 0.17 0.14 0.29 -1.33 0.00 0.00 177.39 177.04 3kqz n LYS 337 N -0.23 -5.99 -2.13 3.23 5.02 -0.13 -4.68 118.16 113.27 3kqz n LYS 337 Ca 0.19 0.74 -0.41 0.00 -2.02 0.00 0.00 58.31 56.82 3kqz n LYS 337 Cb 0.25 -5.42 -0.00 0.00 -0.02 0.00 0.00 35.03 29.84 3kqz n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kqz n MET 338 N -4.12 4.06 0.15 1.97 2.81 -0.81 -2.65 117.12 118.53 3kqz n MET 338 Ca -0.03 -3.43 0.13 0.00 -1.81 0.00 0.00 57.70 52.56 3kqz n MET 338 Cb 0.57 -2.79 0.29 0.00 -0.71 0.00 0.00 33.22 30.58 3kqz n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kqz h GLY 339 N 6.81 0.00 0.62 3.03 0.00 -1.73 -0.60 103.07 111.20 3kqz h GLY 339 Ca 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.87 3kqz h GLY 339 CO 1.57 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 177.94 3kqz h ALA 340 N 2.29 -0.49 -0.19 3.60 0.00 -1.81 -2.42 119.26 120.23 3kqz h ALA 340 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3kqz h ALA 340 Cb 0.86 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3kqz h ALA 340 CO 0.00 -0.58 -0.05 -0.92 0.00 0.00 0.00 179.25 177.70 3kqz h TYR 341 N -0.88 -0.11 -0.47 0.00 3.20 -1.59 -2.55 116.97 114.56 3kqz h TYR 341 Ca -0.05 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 3kqz h TYR 341 Cb 0.54 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3kqz h TYR 341 CO 0.02 -0.09 0.19 -0.07 -1.64 0.00 0.00 178.16 176.57 3kqz h LEU 342 N -0.01 0.61 -0.52 2.82 3.38 -1.20 -2.36 115.31 118.03 3kqz h LEU 342 Ca 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3kqz h LEU 342 Cb 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3kqz h LEU 342 CO -0.20 0.55 0.30 0.28 0.09 0.00 0.00 178.44 179.46 3kqz h SER 343 N 0.67 0.64 -0.80 -0.43 0.02 -1.02 -1.94 113.55 110.67 3kqz h SER 343 Ca 0.16 -0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3kqz h SER 343 Cb 0.13 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 3kqz h SER 343 CO -0.02 0.53 0.53 0.58 -1.14 0.00 0.00 176.83 177.31 3kqz h VAL 344 N 0.70 1.06 -0.08 2.27 2.07 -1.16 -2.72 116.25 118.38 3kqz h VAL 344 Ca 0.19 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3kqz h VAL 344 Cb 0.02 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3kqz h VAL 344 CO -0.03 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.33 3kqz n GLY 345 N -1.42 -0.29 0.21 2.17 0.00 -0.76 -4.29 105.19 100.80 3kqz n GLY 345 Ca 0.12 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.86 3kqz n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqz h LYS 346 N 1.30 0.09 -0.40 1.61 1.57 -1.15 -2.25 116.57 117.33 3kqz h LYS 346 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kqz h LYS 346 Cb 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3kqz h LYS 346 CO 0.00 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 179.64 3kqz n GLY 347 N -0.69 1.19 3.93 3.86 0.00 -1.23 -4.39 105.19 107.85 3kqz n GLY 347 Ca -0.02 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 3kqz n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kqz s SER 348 N -1.26 6.39 0.22 1.61 0.15 -0.85 -4.52 113.70 115.44 3kqz s SER 348 Ca 0.35 0.44 0.26 0.00 0.70 0.00 0.00 55.95 57.70 3kqz s SER 348 Cb 0.19 -2.03 0.77 0.00 -1.71 0.00 0.00 66.02 63.24 3kqz s SER 348 CO 0.26 -0.08 1.75 0.00 1.20 0.00 0.00 173.24 176.38 3kqz h MET 349 N 1.89 0.00 -5.29 5.44 -0.00 -1.90 -3.44 114.93 111.63 3kqz h MET 349 Ca -0.48 0.00 -0.60 0.00 -0.00 0.00 0.00 59.70 58.62 3kqz h MET 349 Cb 1.19 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 32.67 3kqz h MET 349 CO 0.67 0.00 -0.43 0.71 -0.00 0.00 0.00 176.91 177.86 3kqz s TYR 350 N -3.11 3.39 0.45 -0.10 1.51 -1.26 -4.89 117.35 113.34 3kqz s TYR 350 Ca 0.10 0.39 -0.25 0.00 -1.01 0.00 0.00 57.07 56.30 3kqz s TYR 350 Cb 0.12 -2.26 -0.08 0.00 -0.11 0.00 0.00 41.96 39.63 3kqz s TYR 350 CO 0.60 0.19 1.37 -2.14 -1.11 0.00 0.00 175.55 174.47 3kqz s PRO 351 N 0.65 3.70 0.41 -1.71 0.02 -1.26 -4.75 135.00 132.06 3kqz s PRO 351 Ca 0.11 2.30 -0.26 0.00 0.02 0.00 0.00 61.00 63.16 3kqz s PRO 351 Cb -0.12 -2.62 -0.09 0.00 0.02 0.00 0.00 34.50 31.68 3kqz s PRO 351 CO 0.02 -0.76 1.41 -0.80 -0.33 0.00 0.00 177.00 176.53 3kqz s ASN 352 N -0.66 6.15 -0.12 2.53 -0.87 -1.26 -4.51 114.94 116.20 3kqz s ASN 352 Ca 0.61 2.88 -0.02 0.00 -1.57 0.00 0.00 52.86 54.76 3kqz s ASN 352 Cb -0.41 -2.65 0.04 0.00 -0.02 0.00 0.00 41.25 38.21 3kqz s ASN 352 CO 0.52 -0.98 0.02 -0.54 -2.57 0.00 0.00 177.10 173.55 3kqz s LYS 353 N -2.27 0.59 -0.23 -0.60 -0.14 -1.04 -3.94 119.74 112.11 3kqz s LYS 353 Ca 0.57 -0.09 -0.14 0.00 -1.36 0.00 0.00 55.97 54.96 3kqz s LYS 353 Cb -0.43 -1.42 -0.04 0.00 -1.68 0.00 0.00 37.83 34.26 3kqz s LYS 353 CO 0.56 -0.44 0.32 0.12 -0.76 0.00 0.00 175.35 175.15 3kqz s PHE 354 N 1.94 3.32 -0.19 3.18 2.19 0.58 -1.80 117.98 127.21 3kqz s PHE 354 Ca 0.03 0.44 -0.11 0.00 0.33 0.00 0.00 56.93 57.62 3kqz s PHE 354 Cb -0.14 -2.46 -0.05 0.00 -1.31 0.00 0.00 43.02 39.06 3kqz s PHE 354 CO -0.06 -0.04 0.19 0.42 1.83 0.00 0.00 175.22 177.55 3kqz s ILE 355 N 1.42 5.37 -0.24 3.12 1.01 0.81 -0.31 121.20 132.38 3kqz s ILE 355 Ca 0.14 0.31 -0.03 0.00 0.00 0.00 0.00 60.65 61.07 3kqz s ILE 355 Cb -0.15 -3.53 0.08 0.00 0.01 0.00 0.00 42.46 38.88 3kqz s ILE 355 CO 0.08 0.42 0.09 -2.28 0.00 0.00 0.00 174.94 173.24 3kqz s HIS 356 N 0.41 0.72 0.05 3.97 2.46 -0.68 -0.90 115.29 121.33 3kqz s HIS 356 Ca 0.11 -0.88 0.02 0.00 0.47 0.00 0.00 55.06 54.78 3kqz s HIS 356 Cb -0.12 -1.02 -0.04 0.00 -0.13 0.00 0.00 32.58 31.27 3kqz s HIS 356 CO 0.00 -0.70 0.09 -0.51 -2.47 0.00 0.00 174.74 171.15 3kqz s LEU 357 N 1.96 3.86 -0.02 8.88 1.02 -0.42 -1.11 118.68 132.85 3kqz s LEU 357 Ca 0.05 0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.28 3kqz s LEU 357 Cb -0.17 -2.45 -0.00 0.00 0.02 0.00 0.00 46.19 43.59 3kqz s LEU 357 CO -0.20 0.20 -0.10 -0.89 0.02 0.00 0.00 176.35 175.38 3kqz s THR 358 N -1.34 0.83 -0.17 5.49 2.01 0.03 -0.48 115.64 122.00 3kqz s THR 358 Ca 0.28 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.85 3kqz s THR 358 Cb -0.12 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.68 3kqz s THR 358 CO 0.20 0.24 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.75 3kqz s TYR 359 N -0.08 2.80 -0.07 4.92 5.04 -0.10 -2.08 117.35 127.77 3kqz s TYR 359 Ca 0.01 -1.19 0.05 0.00 -2.44 0.00 0.00 57.07 53.50 3kqz s TYR 359 Cb -0.06 -1.92 -0.01 0.00 0.35 0.00 0.00 41.96 40.32 3kqz s TYR 359 CO -0.00 -0.58 -0.24 0.21 -1.34 0.00 0.00 175.55 173.61 3kqz s LYS 360 N 1.02 2.68 0.72 4.97 2.20 -1.26 -0.25 119.74 129.83 3kqz s LYS 360 Ca -0.01 -0.88 -0.11 0.00 -0.36 0.00 0.00 55.97 54.61 3kqz s LYS 360 Cb -0.15 -2.22 0.03 0.00 -1.51 0.00 0.00 37.83 33.98 3kqz s LYS 360 CO -0.04 0.35 1.07 -1.12 -0.36 0.00 0.00 175.35 175.25 3kqz s SER 361 N -0.07 5.07 0.06 1.43 0.01 -0.56 -4.99 113.70 114.66 3kqz s SER 361 Ca -0.06 1.64 -0.19 0.00 1.31 0.00 0.00 55.95 58.64 3kqz s SER 361 Cb -0.14 -2.46 -0.11 0.00 0.21 0.00 0.00 66.02 63.52 3kqz s SER 361 CO 0.05 -1.64 1.45 0.11 0.41 0.00 0.00 173.24 173.61 3kqz h LYS 362 N -0.86 0.40 0.00 12.44 1.79 -1.91 -3.47 116.57 124.96 3kqz h LYS 362 Ca -0.44 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 57.87 3kqz h LYS 362 Cb 1.22 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3kqz h LYS 362 CO 0.56 0.66 0.00 0.41 -1.08 0.00 0.00 179.45 180.00 3kqz n GLY 363 N -0.11 -1.50 3.76 3.86 0.00 -1.26 -4.93 105.19 105.01 3kqz n GLY 363 Ca -0.05 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 3kqz n GLY 363 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kqz n ASP 364 N 0.00 3.72 -4.56 1.61 5.68 -1.26 -4.89 116.55 116.85 3kqz n ASP 364 Ca 0.00 1.20 -0.42 0.00 -0.50 0.00 0.00 54.79 55.07 3kqz n ASP 364 Cb 0.00 -1.60 -0.07 0.00 -1.14 0.00 0.00 41.12 38.31 3kqz n ASP 364 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3kqz s VAL 365 N -0.77 4.92 -0.15 2.12 1.01 -1.26 -3.91 120.40 122.36 3kqz s VAL 365 Ca 0.57 0.49 0.18 0.00 0.00 0.00 0.00 61.98 63.21 3kqz s VAL 365 Cb -0.49 -4.06 -0.25 0.00 0.00 0.00 0.00 36.38 31.58 3kqz s VAL 365 CO 0.59 -0.31 0.26 0.29 0.00 0.00 0.00 175.10 175.93 3kqz n LYS 366 N 5.98 0.67 -3.76 2.72 5.02 -0.11 -4.94 118.16 123.74 3kqz n LYS 366 Ca -0.02 0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 3kqz n LYS 366 Cb 0.49 -1.57 -0.14 0.00 -0.02 0.00 0.00 35.03 33.78 3kqz n LYS 366 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kqz s LYS 367 N -2.70 0.09 -0.17 1.97 2.47 -1.08 -5.03 119.74 115.29 3kqz s LYS 367 Ca -0.08 0.32 -0.03 0.00 -1.56 0.00 0.00 55.97 54.61 3kqz s LYS 367 Cb 0.08 -0.15 -0.02 0.00 -1.46 0.00 0.00 37.83 36.28 3kqz s LYS 367 CO 0.84 -0.14 -0.05 0.15 0.16 0.00 0.00 175.35 176.31 3kqz s LYS 368 N 0.99 3.58 -0.06 4.03 1.02 -1.26 -0.93 119.74 127.11 3kqz s LYS 368 Ca -0.08 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.38 3kqz s LYS 368 Cb -0.10 -2.90 0.01 0.00 -0.52 0.00 0.00 37.83 34.32 3kqz s LYS 368 CO -0.05 0.15 -0.15 0.42 -0.92 0.00 0.00 175.35 174.80 3kqz s ILE 369 N 0.59 1.32 -0.23 2.17 1.01 0.35 -0.19 121.20 126.21 3kqz s ILE 369 Ca -0.03 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 3kqz s ILE 369 Cb -0.15 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 3kqz s ILE 369 CO 0.03 0.39 0.07 0.00 0.00 0.00 0.00 174.94 175.43 3kqz s ALA 370 N 0.40 3.25 -0.22 9.38 0.00 0.12 0.47 121.76 135.17 3kqz s ALA 370 Ca -0.11 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 3kqz s ALA 370 Cb -0.14 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 3kqz s ALA 370 CO 0.04 -0.26 0.02 -0.51 0.00 0.00 0.00 175.76 175.05 3kqz s LEU 371 N 1.19 3.32 -0.15 0.00 1.43 0.49 -0.86 118.68 124.10 3kqz s LEU 371 Ca 0.05 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3kqz s LEU 371 Cb -0.14 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.23 3kqz s LEU 371 CO 0.03 0.03 -0.21 -0.69 0.23 0.00 0.00 176.35 175.75 3kqz s VAL 372 N 1.20 2.04 -0.11 -1.59 1.01 -0.00 0.99 120.40 123.93 3kqz s VAL 372 Ca 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3kqz s VAL 372 Cb -0.14 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3kqz s VAL 372 CO 0.02 0.54 -0.10 -0.83 0.00 0.00 0.00 175.10 174.73 3kqz s GLY 373 N 0.99 1.61 0.22 4.51 0.00 0.03 -0.47 107.32 114.21 3kqz s GLY 373 Ca -0.03 -0.89 -0.31 0.00 0.00 0.00 0.00 44.72 43.49 3kqz s GLY 373 CO -0.06 -0.38 1.59 1.25 0.00 0.00 0.00 173.10 175.50 3kqz s LYS 374 N -0.11 4.18 -0.43 2.90 2.20 -0.81 -4.07 119.74 123.61 3kqz s LYS 374 Ca -0.00 2.46 0.10 0.00 -0.36 0.00 0.00 55.97 58.17 3kqz s LYS 374 Cb -0.13 -3.09 0.34 0.00 -1.51 0.00 0.00 37.83 33.43 3kqz s LYS 374 CO 0.03 -0.61 0.77 0.41 -0.36 0.00 0.00 175.35 175.59 3kqz n GLY 375 N 3.11 4.08 3.58 5.54 0.00 -1.25 -1.21 105.19 119.03 3kqz n GLY 375 Ca 0.12 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 3kqz n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kqz s ILE 376 N -2.86 4.99 0.04 -0.61 -1.09 -0.94 -0.69 121.20 120.04 3kqz s ILE 376 Ca 0.42 0.54 0.09 0.00 -2.23 0.00 0.00 60.65 59.48 3kqz s ILE 376 Cb 0.32 -3.96 -0.13 0.00 -1.58 0.00 0.00 42.46 37.11 3kqz s ILE 376 CO -0.09 -0.17 1.31 0.71 -1.23 0.00 0.00 174.94 175.47 3kqz h THR 377 N 5.58 1.45 -3.57 2.92 1.35 -0.78 -2.00 112.91 117.85 3kqz h THR 377 Ca -0.28 -3.06 -0.26 0.00 -0.55 0.00 0.00 66.41 62.27 3kqz h THR 377 Cb 1.12 2.71 -0.31 0.00 -1.73 0.00 0.00 68.15 69.95 3kqz h THR 377 CO 0.78 0.83 -0.70 0.12 -0.25 0.00 0.00 175.52 176.29 3kqz s PHE 378 N -2.78 -0.02 -0.43 4.73 5.36 -1.26 -4.30 117.98 119.28 3kqz s PHE 378 Ca 0.02 0.13 -0.02 0.00 -0.96 0.00 0.00 56.93 56.10 3kqz s PHE 378 Cb 0.09 -0.10 0.12 0.00 -0.34 0.00 0.00 43.02 42.79 3kqz s PHE 378 CO 0.80 -0.06 0.22 0.34 -1.46 0.00 0.00 175.22 175.06 3kqz s ASP 379 N 0.54 5.15 0.01 6.13 2.15 -1.05 -1.45 116.67 128.16 3kqz s ASP 379 Ca -0.04 -2.20 0.29 0.00 0.43 0.00 0.00 52.55 51.02 3kqz s ASP 379 Cb -0.06 -1.80 1.17 0.00 -0.30 0.00 0.00 42.92 41.93 3kqz s ASP 379 CO -0.02 -0.49 1.89 -1.54 -0.17 0.00 0.00 175.17 174.85 3kqz n SER 380 N 4.33 0.08 0.00 -0.34 3.41 -0.69 -4.79 113.62 115.63 3kqz n SER 380 Ca 0.00 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3kqz n SER 380 Cb 0.41 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 3kqz n SER 380 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqz n GLY 381 N 1.49 3.21 7.00 5.00 0.00 -1.26 -0.71 105.19 119.91 3kqz n GLY 381 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3kqz n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 382 N -1.30 0.74 0.45 -0.02 0.00 -1.26 -1.91 105.19 101.89 3kqz n GLY 382 Ca 0.00 -0.75 0.27 0.00 0.00 0.00 0.00 46.02 45.53 3kqz n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kqz h TYR 383 N 0.00 0.17 0.00 1.61 0.05 -1.83 0.79 116.97 117.76 3kqz h TYR 383 Ca 0.00 0.01 -0.64 0.00 0.05 0.00 0.00 58.73 58.14 3kqz h TYR 383 Cb 0.00 -0.05 0.02 0.00 1.01 0.00 0.00 36.73 37.71 3kqz h TYR 383 CO 0.00 0.03 3.68 0.09 -1.05 0.00 0.00 178.16 180.91 3kqz n ASN 384 N -4.34 7.99 -4.42 3.88 4.13 -1.23 -4.98 115.26 116.29 3kqz n ASN 384 Ca 0.20 -2.57 -0.46 0.00 1.68 0.00 0.00 54.58 53.43 3kqz n ASN 384 Cb 0.93 -1.52 -0.02 0.00 -1.54 0.00 0.00 39.78 37.63 3kqz n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kqz n LEU 385 N 3.86 -0.88 -4.56 3.41 7.94 0.28 -4.50 117.00 122.56 3kqz n LEU 385 Ca 0.73 1.08 -0.35 0.00 -1.11 0.00 0.00 56.01 56.36 3kqz n LEU 385 Cb 0.23 -1.01 -0.04 0.00 0.53 0.00 0.00 43.42 43.14 3kqz n LEU 385 CO 0.85 -2.89 1.41 -0.54 -1.11 0.00 0.00 177.39 175.11 3kqz s LYS 386 N -1.14 3.05 0.00 1.96 1.02 0.11 -4.63 119.74 120.12 3kqz s LYS 386 Ca 0.62 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.09 3kqz s LYS 386 Cb -0.83 -5.01 0.00 0.00 -0.52 0.00 0.00 37.83 31.47 3kqz s LYS 386 CO 0.58 -2.70 0.00 0.00 -0.92 0.00 0.00 175.35 172.31 3kqz n ALA 387 N 11.28 1.60 -1.67 5.17 0.00 -1.26 -4.69 120.51 130.94 3kqz n ALA 387 Ca 0.31 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.36 3kqz n ALA 387 Cb 0.49 0.04 0.04 0.00 0.00 0.00 0.00 19.45 20.02 3kqz n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqz n ALA 388 N -1.26 0.78 -1.77 0.00 0.00 -1.26 -4.94 120.51 112.05 3kqz n ALA 388 Ca 0.00 0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 3kqz n ALA 388 Cb 0.07 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.32 3kqz n ALA 388 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kqz s PRO 389 N -2.56 3.42 0.00 0.00 0.02 -1.26 -2.31 135.00 132.31 3kqz s PRO 389 Ca 0.70 1.67 0.00 0.00 0.02 0.00 0.00 61.00 63.39 3kqz s PRO 389 Cb -0.46 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 31.96 3kqz s PRO 389 CO 0.51 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 3kqz n GLY 390 N 0.26 1.79 0.11 0.52 0.00 -1.26 -4.88 105.19 101.72 3kqz n GLY 390 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 3kqz n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqz n SER 391 N 0.00 0.55 -3.75 1.61 3.41 -0.98 -4.94 113.62 109.53 3kqz n SER 391 Ca 0.00 0.63 -0.25 0.00 -0.26 0.00 0.00 58.87 58.99 3kqz n SER 391 Cb 0.00 -0.75 0.04 0.00 -0.26 0.00 0.00 64.21 63.24 3kqz n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kqz n MET 392 N -2.11 -5.64 -0.05 4.33 2.81 -1.26 -4.86 117.12 110.34 3kqz n MET 392 Ca 0.03 0.65 0.22 0.00 -1.81 0.00 0.00 57.70 56.79 3kqz n MET 392 Cb 0.23 -5.43 0.69 0.00 -0.71 0.00 0.00 33.22 28.00 3kqz n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kqz h ILE 393 N -2.05 0.70 0.00 2.02 2.10 -1.92 -1.42 117.51 116.94 3kqz h ILE 393 Ca -0.59 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.34 3kqz h ILE 393 Cb 1.36 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 3kqz h ILE 393 CO 0.60 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.77 3kqz n ASP 394 N -4.36 0.00 -0.38 2.19 5.75 -1.26 -2.03 116.55 116.46 3kqz n ASP 394 Ca 0.12 -0.24 0.07 0.00 -0.01 0.00 0.00 54.79 54.73 3kqz n ASP 394 Cb 0.67 -0.16 0.01 0.00 -1.03 0.00 0.00 41.12 40.61 3kqz n ASP 394 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3kqz n LEU 395 N -1.16 1.66 0.00 -2.12 7.94 -0.53 -4.68 117.00 118.11 3kqz n LEU 395 Ca 0.11 -0.83 0.07 0.00 -1.11 0.00 0.00 56.01 54.26 3kqz n LEU 395 Cb 0.11 0.00 0.43 0.00 0.53 0.00 0.00 43.42 44.49 3kqz n LEU 395 CO 0.13 0.32 0.74 0.23 -1.11 0.00 0.00 177.39 177.69 3kqz n MET 396 N 0.08 0.89 0.27 1.96 2.81 -0.86 -0.33 117.12 121.94 3kqz n MET 396 Ca 0.06 0.00 0.17 0.00 -1.81 0.00 0.00 57.70 56.12 3kqz n MET 396 Cb 0.31 -1.26 0.67 0.00 -0.71 0.00 0.00 33.22 32.23 3kqz n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kqz h LYS 397 N 0.00 0.00 0.00 0.03 2.10 -1.82 -2.71 116.57 114.16 3kqz h LYS 397 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kqz h LYS 397 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3kqz h LYS 397 CO 0.00 0.02 0.00 1.97 -2.00 0.00 0.00 179.45 179.44 3kqz n PHE 398 N -3.13 0.00 1.96 0.07 -0.00 0.55 -3.84 117.46 113.08 3kqz n PHE 398 Ca 0.01 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.54 3kqz n PHE 398 Cb 0.32 0.00 0.51 0.00 -0.00 0.00 0.00 39.48 40.31 3kqz n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kqz n ASP 399 N -0.80 0.00 -1.01 5.98 2.03 -1.06 -1.44 116.55 120.24 3kqz n ASP 399 Ca 0.12 -1.42 0.07 0.00 0.52 0.00 0.00 54.79 54.08 3kqz n ASP 399 Cb 0.06 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 40.72 3kqz n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kqz n MET 400 N -0.78 2.97 0.13 -0.67 0.00 -0.75 -2.21 117.12 115.81 3kqz n MET 400 Ca 0.13 -2.90 0.07 0.00 0.00 0.00 0.00 57.70 55.00 3kqz n MET 400 Cb 0.06 -1.88 0.54 0.00 0.00 0.00 0.00 33.22 31.94 3kqz n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kqz h SER 401 N 1.89 0.22 -0.02 3.17 0.02 -1.39 -1.03 113.55 116.41 3kqz h SER 401 Ca 0.03 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.78 3kqz h SER 401 Cb 1.53 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 64.03 3kqz h SER 401 CO 0.27 0.16 -0.73 1.23 -1.14 0.00 0.00 176.83 176.62 3kqz h GLY 402 N 0.26 0.58 0.60 -3.77 0.00 -1.71 -0.77 103.07 98.26 3kqz h GLY 402 Ca 0.08 -0.99 0.05 0.00 0.00 0.00 0.00 47.33 46.47 3kqz h GLY 402 CO -0.02 0.88 0.13 0.00 0.00 0.00 0.00 176.54 177.53 3kqz h ALA 404 N 1.28 0.88 -0.22 0.00 0.00 -1.02 0.82 119.26 121.00 3kqz h ALA 404 Ca 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3kqz h ALA 404 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kqz h ALA 404 CO -0.21 -0.09 0.08 0.00 0.00 0.00 0.00 179.25 179.04 3kqz h ALA 405 N 1.40 0.28 -0.60 0.00 0.00 -0.27 0.12 119.26 120.20 3kqz h ALA 405 Ca 0.32 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3kqz h ALA 405 Cb 0.33 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3kqz h ALA 405 CO -0.26 -0.11 0.36 0.28 0.00 0.00 0.00 179.25 179.51 3kqz h VAL 406 N 0.19 1.05 -0.77 0.00 2.07 -0.21 0.43 116.25 119.03 3kqz h VAL 406 Ca 0.07 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 3kqz h VAL 406 Cb 0.19 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3kqz h VAL 406 CO -0.00 0.13 0.26 -0.07 0.02 0.00 0.00 177.57 177.91 3kqz h LEU 407 N 0.70 1.10 -0.65 2.57 3.38 -0.59 0.16 115.31 121.98 3kqz h LEU 407 Ca 0.24 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3kqz h LEU 407 Cb 0.05 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3kqz h LEU 407 CO -0.11 1.00 0.24 1.23 0.09 0.00 0.00 178.44 180.89 3kqz h GLY 408 N 1.13 1.05 1.42 0.83 0.00 -0.30 -1.60 103.07 105.61 3kqz h GLY 408 Ca 0.25 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3kqz h GLY 408 CO -0.01 0.55 0.30 0.00 0.00 0.00 0.00 176.54 177.38 3kqz h ALA 410 N 1.56 1.20 0.19 0.00 0.00 0.05 -1.19 119.26 121.06 3kqz h ALA 410 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kqz h ALA 410 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kqz h ALA 410 CO -0.03 0.52 -0.09 -0.92 0.00 0.00 0.00 179.25 178.72 3kqz h TYR 411 N 0.50 -0.23 -0.37 0.00 3.20 -0.28 0.19 116.97 119.98 3kqz h TYR 411 Ca 0.09 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.97 3kqz h TYR 411 Cb 0.51 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3kqz h TYR 411 CO 0.02 0.00 0.23 0.00 -1.64 0.00 0.00 178.16 176.77 3kqz h VAL 413 N 0.47 1.27 0.00 0.00 2.07 -1.16 0.52 116.25 119.42 3kqz h VAL 413 Ca 0.14 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 3kqz h VAL 413 Cb -0.02 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3kqz h VAL 413 CO -0.06 0.42 -0.23 1.23 0.02 0.00 0.00 177.57 178.96 3kqz h GLY 414 N 0.74 0.00 0.00 2.17 0.00 -0.43 -1.84 103.07 103.71 3kqz h GLY 414 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 3kqz h GLY 414 CO 0.04 0.00 -0.45 -0.84 0.00 0.00 0.00 176.54 175.29 3kqz h THR 415 N 0.00 1.10 0.00 4.70 2.02 -0.63 -3.38 112.91 116.73 3kqz h THR 415 Ca -0.00 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.19 3kqz h THR 415 Cb 0.42 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 3kqz h THR 415 CO 0.03 0.37 0.00 -0.07 0.37 0.00 0.00 175.52 176.22 3kqz h LEU 416 N -1.00 0.00 -3.22 2.58 3.38 -0.02 -3.47 115.31 113.55 3kqz h LEU 416 Ca -0.11 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.45 3kqz h LEU 416 Cb 0.91 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.74 3kqz h LEU 416 CO -0.07 0.00 -0.89 0.29 0.09 0.00 0.00 178.44 177.86 3kqz n LYS 417 N -2.84 -1.22 -1.32 1.13 5.02 -0.69 -4.93 118.16 113.31 3kqz n LYS 417 Ca 0.01 0.54 -0.32 0.00 -2.02 0.00 0.00 58.31 56.52 3kqz n LYS 417 Cb 0.28 -4.06 0.09 0.00 -0.02 0.00 0.00 35.03 31.32 3kqz n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kqz s PRO 418 N -5.73 2.22 0.37 1.97 0.04 -1.26 -5.03 135.00 127.57 3kqz s PRO 418 Ca 0.41 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.78 3kqz s PRO 418 Cb -0.15 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 3kqz s PRO 418 CO 0.86 -1.69 0.56 -1.21 0.04 0.00 0.00 177.00 175.56 3kqz s GLU 419 N -4.60 3.37 -1.35 4.56 2.02 -1.26 -4.64 118.70 116.79 3kqz s GLU 419 Ca 0.64 -0.43 -0.01 0.00 0.02 0.00 0.00 54.97 55.19 3kqz s GLU 419 Cb -0.20 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.38 3kqz s GLU 419 CO 0.52 0.06 0.14 0.09 0.02 0.00 0.00 175.26 176.09 3kqz n ASN 420 N -1.83 -4.95 -3.84 -0.19 3.02 -1.25 -4.97 115.26 101.25 3kqz n ASN 420 Ca -0.03 -0.08 -0.12 0.00 -0.03 0.00 0.00 54.58 54.32 3kqz n ASN 420 Cb 0.57 -3.98 -0.12 0.00 -0.61 0.00 0.00 39.78 35.63 3kqz n ASN 420 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kqz s VAL 421 N -2.88 0.02 -0.13 2.41 0.11 -1.26 -0.93 120.40 117.74 3kqz s VAL 421 Ca 0.07 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 3kqz s VAL 421 Cb -0.03 -0.24 0.01 0.00 -1.53 0.00 0.00 36.38 34.59 3kqz s VAL 421 CO 0.08 -0.09 -0.20 -0.70 -3.33 0.00 0.00 175.10 170.86 3kqz s GLU 422 N -0.27 2.73 -0.10 1.54 2.12 -0.11 -1.50 118.70 123.12 3kqz s GLU 422 Ca -0.03 -0.75 0.03 0.00 0.36 0.00 0.00 54.97 54.57 3kqz s GLU 422 Cb -0.03 -2.23 0.01 0.00 0.26 0.00 0.00 34.13 32.14 3kqz s GLU 422 CO 0.00 -0.02 -0.18 0.42 -0.54 0.00 0.00 175.26 174.94 3kqz s ILE 423 N 0.85 1.66 -0.17 -3.70 1.01 0.66 0.13 121.20 121.64 3kqz s ILE 423 Ca -0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 3kqz s ILE 423 Cb -0.15 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 3kqz s ILE 423 CO -0.01 0.47 -0.02 -1.00 0.00 0.00 0.00 174.94 174.38 3kqz s HIS 424 N 0.69 3.05 -0.34 3.97 3.76 0.18 -0.93 115.29 125.67 3kqz s HIS 424 Ca -0.12 -0.29 -0.07 0.00 -0.15 0.00 0.00 55.06 54.43 3kqz s HIS 424 Cb -0.16 -2.00 0.04 0.00 1.11 0.00 0.00 32.58 31.57 3kqz s HIS 424 CO 0.03 -0.06 0.12 -0.06 -0.85 0.00 0.00 174.74 173.92 3kqz s PHE 425 N 0.50 3.25 -0.01 1.40 0.08 0.37 -0.38 117.98 123.19 3kqz s PHE 425 Ca -0.02 -1.32 0.05 0.00 0.12 0.00 0.00 56.93 55.75 3kqz s PHE 425 Cb -0.14 -2.31 -0.03 0.00 -0.57 0.00 0.00 43.02 39.98 3kqz s PHE 425 CO 0.02 -0.71 -0.15 -0.51 -0.10 0.00 0.00 175.22 173.78 3kqz s LEU 426 N 1.43 2.74 -0.21 -0.37 1.43 0.28 -1.31 118.68 122.68 3kqz s LEU 426 Ca -0.01 -0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 52.74 3kqz s LEU 426 Cb -0.19 -1.58 0.09 0.00 0.03 0.00 0.00 46.19 44.53 3kqz s LEU 426 CO 0.04 0.31 0.47 -0.55 0.23 0.00 0.00 176.35 176.84 3kqz s SER 427 N -1.07 -0.48 -0.94 2.29 0.15 -0.08 -0.79 113.70 112.78 3kqz s SER 427 Ca 0.13 1.08 -0.24 0.00 0.70 0.00 0.00 55.95 57.62 3kqz s SER 427 Cb -0.11 1.31 0.05 0.00 -1.71 0.00 0.00 66.02 65.56 3kqz s SER 427 CO 0.03 -0.22 1.39 0.00 1.20 0.00 0.00 173.24 175.64 3kqz s ALA 428 N 2.25 2.75 -0.04 5.45 0.00 -1.26 -0.14 121.76 130.77 3kqz s ALA 428 Ca -0.05 -2.06 -0.18 0.00 0.00 0.00 0.00 51.96 49.68 3kqz s ALA 428 Cb -0.10 -4.44 -0.05 0.00 0.00 0.00 0.00 23.12 18.53 3kqz s ALA 428 CO -0.14 -3.50 0.48 0.08 0.00 0.00 0.00 175.76 172.68 3kqz s VAL 429 N 5.07 5.04 0.16 0.00 1.01 -0.74 -3.94 120.40 127.00 3kqz s VAL 429 Ca 0.43 0.99 -0.07 0.00 0.00 0.00 0.00 61.98 63.33 3kqz s VAL 429 Cb -0.02 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.57 3kqz s VAL 429 CO -0.04 0.45 0.36 0.00 0.00 0.00 0.00 175.10 175.87 3kqz s GLU 431 N -2.04 2.22 -0.57 0.00 2.12 -1.26 -0.09 118.70 119.08 3kqz s GLU 431 Ca 0.07 -0.63 -0.18 0.00 0.36 0.00 0.00 54.97 54.60 3kqz s GLU 431 Cb -0.02 -1.77 0.11 0.00 0.26 0.00 0.00 34.13 32.71 3kqz s GLU 431 CO 0.05 0.13 0.64 1.21 -0.54 0.00 0.00 175.26 176.75 3kqz s ASN 432 N 0.43 6.18 0.37 -1.70 2.47 -0.53 -4.32 114.94 117.84 3kqz s ASN 432 Ca -0.14 -1.52 0.05 0.00 0.42 0.00 0.00 52.86 51.66 3kqz s ASN 432 Cb -0.16 -2.27 -0.06 0.00 -1.45 0.00 0.00 41.25 37.31 3kqz s ASN 432 CO 0.05 -1.03 0.05 -0.04 -3.72 0.00 0.00 177.10 172.41 3kqz s MET 433 N 2.36 1.80 -0.17 0.43 -1.94 -1.26 -1.70 119.30 118.82 3kqz s MET 433 Ca 0.09 -2.03 -0.04 0.00 -1.71 0.00 0.00 55.69 52.00 3kqz s MET 433 Cb -0.26 -1.11 -0.02 0.00 2.01 0.00 0.00 34.83 35.45 3kqz s MET 433 CO 0.05 -0.19 -0.03 0.08 -0.01 0.00 0.00 175.02 174.93 3kqz s VAL 434 N -3.09 3.82 0.14 -6.03 1.01 -1.26 -4.44 120.40 110.55 3kqz s VAL 434 Ca 0.33 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 3kqz s VAL 434 Cb 0.08 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.84 3kqz s VAL 434 CO 0.15 0.47 0.75 -0.55 0.00 0.00 0.00 175.10 175.92 3kqz s SER 435 N 0.61 -0.40 0.38 3.32 0.15 -1.26 -4.96 113.70 111.54 3kqz s SER 435 Ca -0.02 -0.18 0.27 0.00 0.70 0.00 0.00 55.95 56.71 3kqz s SER 435 Cb -0.14 0.56 1.36 0.00 -1.71 0.00 0.00 66.02 66.08 3kqz s SER 435 CO 0.02 -0.95 1.81 0.07 1.20 0.00 0.00 173.24 175.39 3kqz h LYS 436 N 2.00 0.00 -0.02 5.44 2.10 -1.98 -2.92 116.57 121.19 3kqz h LYS 436 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3kqz h LYS 436 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3kqz h LYS 436 CO 0.31 0.00 -0.25 0.09 -2.00 0.00 0.00 179.45 177.61 3kqz n ASN 437 N -2.44 1.99 -4.76 7.07 5.03 -1.26 -4.99 115.26 115.90 3kqz n ASN 437 Ca -0.01 -1.51 -0.36 0.00 0.87 0.00 0.00 54.58 53.58 3kqz n ASN 437 Cb 0.09 0.22 0.03 0.00 -1.02 0.00 0.00 39.78 39.10 3kqz n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kqz s SER 438 N -2.30 5.22 0.80 6.41 0.01 -1.11 -3.57 113.70 119.17 3kqz s SER 438 Ca 0.25 2.36 -0.11 0.00 1.31 0.00 0.00 55.95 59.76 3kqz s SER 438 Cb 0.19 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.90 3kqz s SER 438 CO 0.46 -1.57 1.11 -0.72 0.41 0.00 0.00 173.24 172.93 3kqz s TYR 439 N -1.63 2.33 0.14 2.43 -0.00 -1.26 -4.88 117.35 114.48 3kqz s TYR 439 Ca 0.77 1.62 0.11 0.00 -0.00 0.00 0.00 57.07 59.56 3kqz s TYR 439 Cb -0.29 -3.13 -0.04 0.00 -0.00 0.00 0.00 41.96 38.49 3kqz s TYR 439 CO 0.33 -2.06 -0.26 1.03 -0.00 0.00 0.00 175.55 174.59 3kqz s ARG 440 N -4.80 1.42 0.14 -3.49 0.52 -1.26 -4.68 118.95 106.79 3kqz s ARG 440 Ca 0.63 -1.38 -0.34 0.00 -0.52 0.00 0.00 55.73 54.11 3kqz s ARG 440 Cb -0.19 -1.86 -0.16 0.00 0.52 0.00 0.00 34.95 33.26 3kqz s ARG 440 CO 0.56 0.43 1.29 -2.30 0.02 0.00 0.00 175.30 175.30 3kqz n PRO 441 N 0.76 1.29 0.00 3.54 -0.02 -1.26 -1.57 135.00 137.74 3kqz n PRO 441 Ca -0.17 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3kqz n PRO 441 Cb 0.54 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3kqz n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 442 N 2.34 2.98 3.60 -1.23 0.00 0.21 -5.02 105.19 108.08 3kqz n GLY 442 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3kqz n GLY 442 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqz n ASP 443 N 0.00 1.12 -4.41 1.61 8.00 -0.61 -4.45 116.55 117.81 3kqz n ASP 443 Ca 0.00 1.01 -0.34 0.00 0.71 0.00 0.00 54.79 56.16 3kqz n ASP 443 Cb 0.00 -1.35 -0.13 0.00 -0.02 0.00 0.00 41.12 39.62 3kqz n ASP 443 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kqz s ILE 444 N -1.31 3.63 0.23 0.53 1.01 -1.26 -0.85 121.20 123.19 3kqz s ILE 444 Ca 0.64 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.92 3kqz s ILE 444 Cb -0.54 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 3kqz s ILE 444 CO 0.56 0.46 -0.07 0.27 0.00 0.00 0.00 174.94 176.16 3kqz s ILE 445 N 0.86 1.46 -0.15 2.92 -4.36 -0.49 -4.91 121.20 116.53 3kqz s ILE 445 Ca -0.01 -2.12 0.01 0.00 -0.26 0.00 0.00 60.65 58.27 3kqz s ILE 445 Cb -0.15 -2.25 0.02 0.00 1.25 0.00 0.00 42.46 41.33 3kqz s ILE 445 CO 0.01 -0.43 -0.15 -0.89 0.24 0.00 0.00 174.94 173.72 3kqz s THR 446 N -3.14 1.63 0.90 8.37 2.01 -1.26 -0.06 115.64 124.10 3kqz s THR 446 Ca 0.26 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.46 3kqz s THR 446 Cb 0.03 -1.52 0.13 0.00 0.01 0.00 0.00 72.50 71.15 3kqz s THR 446 CO 0.08 0.47 1.13 0.00 -0.69 0.00 0.00 174.62 175.61 3kqz s ALA 447 N 1.43 1.80 -1.25 7.40 0.00 0.11 -2.30 121.76 128.95 3kqz s ALA 447 Ca 0.04 -0.48 0.15 0.00 0.00 0.00 0.00 51.96 51.68 3kqz s ALA 447 Cb -0.13 -3.05 0.71 0.00 0.00 0.00 0.00 23.12 20.66 3kqz s ALA 447 CO -0.10 -2.24 1.45 -1.13 0.00 0.00 0.00 175.76 173.74 3kqz n SER 448 N -3.74 0.00 -1.46 0.00 3.41 -1.08 -1.97 113.62 108.77 3kqz n SER 448 Ca 0.07 0.25 0.09 0.00 -0.26 0.00 0.00 58.87 59.02 3kqz n SER 448 Cb 0.59 -0.38 0.33 0.00 -0.26 0.00 0.00 64.21 64.49 3kqz n SER 448 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kqz n ASN 449 N -1.38 4.30 0.00 4.04 6.94 -1.26 -4.95 115.26 122.96 3kqz n ASN 449 Ca 0.06 -2.31 0.00 0.00 -0.02 0.00 0.00 54.58 52.31 3kqz n ASN 449 Cb 0.14 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.03 3kqz n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kqz n GLY 450 N 1.24 1.60 3.72 4.83 0.00 -0.83 -5.03 105.19 110.72 3kqz n GLY 450 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3kqz n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqz s LYS 451 N -0.06 4.40 0.19 1.61 1.02 -1.26 -4.74 119.74 120.92 3kqz s LYS 451 Ca 0.00 1.90 -0.17 0.00 0.02 0.00 0.00 55.97 57.72 3kqz s LYS 451 Cb 0.00 -3.29 -0.08 0.00 -0.52 0.00 0.00 37.83 33.94 3kqz s LYS 451 CO 0.00 -0.29 0.65 0.95 -0.92 0.00 0.00 175.35 175.74 3kqz s THR 452 N 0.85 4.69 -0.07 2.17 -4.23 -1.26 0.04 115.64 117.84 3kqz s THR 452 Ca 0.60 1.08 0.01 0.00 -1.18 0.00 0.00 61.69 62.19 3kqz s THR 452 Cb -0.33 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 69.74 3kqz s THR 452 CO 0.31 0.21 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.89 3kqz s ILE 453 N -1.52 0.84 -0.29 2.99 1.01 0.92 -2.53 121.20 122.63 3kqz s ILE 453 Ca 0.41 -0.27 -0.23 0.00 0.00 0.00 0.00 60.65 60.56 3kqz s ILE 453 Cb -0.16 -0.83 -0.00 0.00 0.01 0.00 0.00 42.46 41.48 3kqz s ILE 453 CO 0.20 0.30 0.76 -0.70 0.00 0.00 0.00 174.94 175.50 3kqz s GLU 454 N 1.04 4.01 -0.34 2.79 2.12 -0.18 -1.39 118.70 126.75 3kqz s GLU 454 Ca -0.08 0.61 -0.29 0.00 0.36 0.00 0.00 54.97 55.57 3kqz s GLU 454 Cb -0.14 -3.70 0.01 0.00 0.26 0.00 0.00 34.13 30.55 3kqz s GLU 454 CO -0.00 -0.61 1.21 0.08 -0.54 0.00 0.00 175.26 175.40 3kqz s VAL 455 N 2.85 4.26 -0.13 3.70 1.01 -0.03 -1.77 120.40 130.29 3kqz s VAL 455 Ca 0.31 1.41 0.18 0.00 0.00 0.00 0.00 61.98 63.89 3kqz s VAL 455 Cb -0.15 -4.31 -0.17 0.00 0.00 0.00 0.00 36.38 31.76 3kqz s VAL 455 CO 0.11 -0.57 0.68 0.61 0.00 0.00 0.00 175.10 175.94 3kqz n GLY 456 N 4.28 -1.17 3.36 4.51 0.00 -1.26 0.66 105.19 115.57 3kqz n GLY 456 Ca 0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 3kqz n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kqz s ASN 457 N -5.50 -0.70 0.29 1.61 3.84 -1.26 -4.71 114.94 108.51 3kqz s ASN 457 Ca -0.04 1.12 0.24 0.00 0.21 0.00 0.00 52.86 54.39 3kqz s ASN 457 Cb 0.09 1.81 1.04 0.00 -0.55 0.00 0.00 41.25 43.64 3kqz s ASN 457 CO 0.83 -0.24 1.73 0.71 -2.79 0.00 0.00 177.10 177.34 3kqz h THR 458 N 6.08 0.00 -0.00 -5.21 1.35 -1.90 -1.39 112.91 111.84 3kqz h THR 458 Ca -0.18 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3kqz h THR 458 Cb 1.12 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3kqz h THR 458 CO 0.15 0.00 -0.11 -0.67 -0.25 0.00 0.00 175.52 174.64 3kqz n ASP 459 N -2.31 0.32 -2.20 5.36 2.03 -0.80 -3.35 116.55 115.60 3kqz n ASP 459 Ca 0.02 -0.32 -0.25 0.00 0.52 0.00 0.00 54.79 54.76 3kqz n ASP 459 Cb 0.22 -0.14 0.02 0.00 -0.72 0.00 0.00 41.12 40.50 3kqz n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqz n ALA 460 N -1.14 5.79 0.08 -1.67 0.00 -0.53 -4.61 120.51 118.44 3kqz n ALA 460 Ca 0.13 -2.54 -0.11 0.00 0.00 0.00 0.00 53.44 50.92 3kqz n ALA 460 Cb 0.28 -1.68 -0.08 0.00 0.00 0.00 0.00 19.45 17.97 3kqz n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kqz h GLU 461 N 2.05 0.17 -0.68 0.00 9.09 -1.77 -3.32 114.58 120.11 3kqz h GLU 461 Ca 0.40 -0.24 0.13 0.00 0.05 0.00 0.00 59.36 59.70 3kqz h GLU 461 Cb 0.78 0.08 -0.09 0.00 -1.65 0.00 0.00 28.75 27.88 3kqz h GLU 461 CO 1.01 1.06 0.23 0.78 0.05 0.00 0.00 179.01 182.14 3kqz h GLY 462 N 2.06 0.97 2.00 1.06 0.00 -1.90 -0.41 103.07 106.86 3kqz h GLY 462 Ca -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3kqz h GLY 462 CO 0.16 -0.10 -0.10 0.07 0.00 0.00 0.00 176.54 176.57 3kqz h ARG 463 N 0.37 0.00 -0.10 4.80 0.11 -1.94 0.84 114.38 118.46 3kqz h ARG 463 Ca 0.37 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.30 3kqz h ARG 463 Cb 0.54 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.63 3kqz h ARG 463 CO -0.40 0.10 -0.53 -0.07 0.10 0.00 0.00 179.97 179.17 3kqz h LEU 464 N 0.00 0.63 -0.43 0.08 3.38 -1.24 -0.39 115.31 117.34 3kqz h LEU 464 Ca -0.00 -0.65 -0.09 0.00 0.09 0.00 0.00 57.88 57.23 3kqz h LEU 464 Cb 0.63 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3kqz h LEU 464 CO 0.01 1.18 -0.08 0.71 0.09 0.00 0.00 178.44 180.36 3kqz h THR 465 N 0.13 1.27 -0.66 0.22 1.35 -0.89 -3.10 112.91 111.22 3kqz h THR 465 Ca -0.04 -1.17 -0.03 0.00 -0.55 0.00 0.00 66.41 64.63 3kqz h THR 465 Cb 1.18 1.15 -0.03 0.00 -1.73 0.00 0.00 68.15 68.72 3kqz h THR 465 CO 0.11 0.40 0.29 -0.07 -0.25 0.00 0.00 175.52 176.00 3kqz h LEU 466 N 0.64 0.87 -0.25 3.87 3.38 -0.83 0.27 115.31 123.26 3kqz h LEU 466 Ca 0.11 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3kqz h LEU 466 Cb 0.60 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3kqz h LEU 466 CO 0.04 0.76 -0.03 0.00 0.09 0.00 0.00 178.44 179.29 3kqz h ALA 467 N 1.38 0.19 -0.49 1.53 0.00 -0.99 1.14 119.26 122.02 3kqz h ALA 467 Ca 0.23 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 3kqz h ALA 467 Cb 0.14 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kqz h ALA 467 CO -0.03 -0.45 -0.01 -0.44 0.00 0.00 0.00 179.25 178.32 3kqz h ASP 468 N 0.03 0.85 0.04 0.00 3.32 -1.41 -1.27 116.42 117.98 3kqz h ASP 468 Ca 0.12 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.81 3kqz h ASP 468 Cb 0.17 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3kqz h ASP 468 CO -0.23 0.96 -0.12 0.00 -1.72 0.00 0.00 179.24 178.13 3kqz h ALA 469 N 0.92 1.56 -0.02 3.45 0.00 0.21 -2.34 119.26 123.04 3kqz h ALA 469 Ca 0.14 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 3kqz h ALA 469 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3kqz h ALA 469 CO 0.03 0.32 -0.83 -0.07 0.00 0.00 0.00 179.25 178.70 3kqz h LEU 470 N 0.19 0.36 -0.92 0.00 3.38 0.16 -0.85 115.31 117.64 3kqz h LEU 470 Ca 0.04 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 3kqz h LEU 470 Cb 0.34 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kqz h LEU 470 CO 0.02 1.04 -0.24 -0.37 0.09 0.00 0.00 178.44 178.98 3kqz h VAL 471 N 0.18 1.26 -0.36 1.22 -1.51 -0.89 -1.59 116.25 114.56 3kqz h VAL 471 Ca -0.04 -1.26 -0.09 0.00 -1.23 0.00 0.00 66.70 64.08 3kqz h VAL 471 Cb 1.43 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.90 3kqz h VAL 471 CO 0.13 0.40 -0.13 0.22 -1.23 0.00 0.00 177.57 176.97 3kqz h TYR 472 N 0.46 0.81 -0.26 5.19 3.20 -1.35 -0.91 116.97 124.11 3kqz h TYR 472 Ca 0.07 -0.19 0.02 0.00 3.14 0.00 0.00 58.73 61.77 3kqz h TYR 472 Cb 0.66 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 3kqz h TYR 472 CO 0.02 0.89 0.13 0.00 -1.64 0.00 0.00 178.16 177.56 3kqz h ALA 473 N 0.80 0.32 -0.29 1.82 0.00 -1.05 -2.85 119.26 118.01 3kqz h ALA 473 Ca 0.09 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3kqz h ALA 473 Cb 0.65 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3kqz h ALA 473 CO 0.04 -0.26 -0.11 1.49 0.00 0.00 0.00 179.25 180.41 3kqz h GLU 474 N 0.28 0.48 0.00 0.00 4.81 -1.10 -0.35 114.58 118.71 3kqz h GLU 474 Ca 0.11 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3kqz h GLU 474 Cb 0.03 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3kqz h GLU 474 CO -0.07 0.59 0.00 1.63 -0.73 0.00 0.00 179.01 180.43 3kqz n LYS 475 N -4.22 0.17 0.04 1.92 5.02 -0.36 -2.11 118.16 118.62 3kqz n LYS 475 Ca 0.01 0.54 0.13 0.00 -2.02 0.00 0.00 58.31 56.97 3kqz n LYS 475 Cb 0.31 -1.93 0.53 0.00 -0.02 0.00 0.00 35.03 33.92 3kqz n LYS 475 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kqz n LEU 476 N -2.27 0.32 -1.20 -0.35 4.77 -0.14 -4.94 117.00 113.19 3kqz n LEU 476 Ca 0.00 0.53 -0.08 0.00 -0.03 0.00 0.00 56.01 56.43 3kqz n LEU 476 Cb 0.12 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 3kqz n LEU 476 CO 0.14 -0.09 -0.01 0.61 -1.33 0.00 0.00 177.39 176.72 3kqz n GLY 477 N 1.35 0.23 3.87 -0.72 0.00 -0.90 -5.04 105.19 103.98 3kqz n GLY 477 Ca 0.06 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 3kqz n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqz s VAL 478 N -2.72 2.77 -0.03 1.61 -7.23 -1.26 -4.93 120.40 108.62 3kqz s VAL 478 Ca 0.10 0.25 0.05 0.00 -1.81 0.00 0.00 61.98 60.57 3kqz s VAL 478 Cb -0.04 -3.20 -0.25 0.00 0.56 0.00 0.00 36.38 33.46 3kqz s VAL 478 CO 0.12 -0.33 0.72 0.44 -0.31 0.00 0.00 175.10 175.75 3kqz h ASP 479 N -0.92 0.17 -3.59 4.85 3.32 -0.96 -3.47 116.42 115.81 3kqz h ASP 479 Ca -0.46 -0.30 -0.37 0.00 0.02 0.00 0.00 57.03 55.92 3kqz h ASP 479 Cb 1.29 -0.06 -0.32 0.00 0.22 0.00 0.00 39.33 40.46 3kqz h ASP 479 CO 0.64 1.26 -0.76 -0.31 -1.72 0.00 0.00 179.24 178.35 3kqz s TYR 480 N -2.61 0.54 -0.19 4.55 2.02 -1.14 -3.77 117.35 116.75 3kqz s TYR 480 Ca -0.08 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.49 3kqz s TYR 480 Cb 0.08 -0.49 0.00 0.00 -0.40 0.00 0.00 41.96 41.15 3kqz s TYR 480 CO 0.82 -0.12 -0.12 0.42 -1.57 0.00 0.00 175.55 174.98 3kqz s ILE 481 N 0.67 2.80 -0.13 2.71 1.01 -0.38 -0.71 121.20 127.18 3kqz s ILE 481 Ca -0.08 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.90 3kqz s ILE 481 Cb -0.11 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.14 3kqz s ILE 481 CO -0.00 0.48 -0.22 -0.69 0.00 0.00 0.00 174.94 174.51 3kqz s VAL 482 N 1.27 2.03 0.13 2.92 1.01 -0.04 -1.49 120.40 126.22 3kqz s VAL 482 Ca 0.03 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3kqz s VAL 482 Cb -0.14 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3kqz s VAL 482 CO -0.06 0.55 0.14 1.51 0.00 0.00 0.00 175.10 177.24 3kqz s ASP 483 N 0.75 5.68 -0.03 3.32 1.47 0.48 -0.82 116.67 127.51 3kqz s ASP 483 Ca -0.09 -0.02 -0.00 0.00 1.18 0.00 0.00 52.55 53.61 3kqz s ASP 483 Cb -0.16 -1.55 0.03 0.00 -0.34 0.00 0.00 42.92 40.90 3kqz s ASP 483 CO -0.00 0.11 0.02 -0.51 0.68 0.00 0.00 175.17 175.47 3kqz s ILE 484 N -1.61 0.06 -0.15 2.11 2.07 0.38 -0.66 121.20 123.40 3kqz s ILE 484 Ca 0.31 0.20 -0.19 0.00 -1.41 0.00 0.00 60.65 59.56 3kqz s ILE 484 Cb -0.11 -0.20 0.05 0.00 0.13 0.00 0.00 42.46 42.32 3kqz s ILE 484 CO 0.24 0.14 0.50 0.00 -1.91 0.00 0.00 174.94 173.91 3kqz s ALA 485 N 1.32 -1.25 -1.24 1.50 0.00 -0.05 -1.92 121.76 120.11 3kqz s ALA 485 Ca -0.06 1.26 -0.14 0.00 0.00 0.00 0.00 51.96 53.03 3kqz s ALA 485 Cb -0.13 -0.60 0.15 0.00 0.00 0.00 0.00 23.12 22.53 3kqz s ALA 485 CO -0.03 -0.26 1.57 0.25 0.00 0.00 0.00 175.76 177.29 3kqz n THR 486 N 2.35 4.19 -0.06 0.00 -2.24 -1.26 0.02 114.28 117.28 3kqz n THR 486 Ca -0.15 -4.53 -0.21 0.00 -2.27 0.00 0.00 64.05 56.88 3kqz n THR 486 Cb 0.56 -2.44 -0.12 0.00 -2.10 0.00 0.00 70.33 66.23 3kqz n THR 486 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kqz h LEU 487 N 9.99 0.14 -7.74 3.22 5.85 -1.91 -3.44 115.31 121.41 3kqz h LEU 487 Ca 0.36 -0.68 -0.38 0.00 0.84 0.00 0.00 57.88 58.02 3kqz h LEU 487 Cb 0.83 -0.05 -0.33 0.00 0.37 0.00 0.00 40.66 41.49 3kqz h LEU 487 CO 1.35 1.56 -0.76 0.42 -0.34 0.00 0.00 178.44 180.66 3kqz s THR 488 N -2.41 0.44 -0.03 1.05 -4.23 -1.26 -4.95 115.64 104.25 3kqz s THR 488 Ca -0.26 -0.09 0.30 0.00 -1.18 0.00 0.00 61.69 60.46 3kqz s THR 488 Cb 0.05 -0.47 0.31 0.00 1.34 0.00 0.00 72.50 73.73 3kqz s THR 488 CO 0.66 0.19 1.90 1.23 -0.54 0.00 0.00 174.62 178.06 3kqz h GLY 489 N 7.02 0.00 2.00 3.99 0.00 -1.92 -1.94 103.07 112.22 3kqz h GLY 489 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3kqz h GLY 489 CO 0.48 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.02 3kqz h ALA 490 N 2.07 1.00 -0.40 3.60 0.00 -1.95 -1.56 119.26 122.02 3kqz h ALA 490 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3kqz h ALA 490 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3kqz h ALA 490 CO 0.00 0.00 0.27 0.52 0.00 0.00 0.00 179.25 180.04 3kqz h MET 491 N 0.00 0.27 0.00 0.00 2.86 -1.74 -1.35 114.93 114.97 3kqz h MET 491 Ca 0.00 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3kqz h MET 491 Cb 0.11 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 3kqz h MET 491 CO 0.00 0.18 -0.12 -0.07 1.06 0.00 0.00 176.91 177.96 3kqz h LEU 492 N 0.28 0.00 0.00 1.22 3.38 -1.51 0.21 115.31 118.88 3kqz h LEU 492 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3kqz h LEU 492 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3kqz h LEU 492 CO -0.04 0.12 -1.58 -1.22 0.09 0.00 0.00 178.44 175.82 3kqz n TYR 493 N -3.39 0.45 -0.03 1.13 4.02 -0.60 -3.65 117.16 115.10 3kqz n TYR 493 Ca -0.01 0.13 -0.02 0.00 -0.01 0.00 0.00 57.90 57.99 3kqz n TYR 493 Cb 0.31 -0.74 -0.01 0.00 -0.02 0.00 0.00 39.34 38.88 3kqz n TYR 493 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kqz n SER 494 N -2.49 0.64 0.03 7.72 3.41 -0.66 -4.77 113.62 117.51 3kqz n SER 494 Ca -0.04 0.26 0.10 0.00 -0.26 0.00 0.00 58.87 58.93 3kqz n SER 494 Cb 0.60 -0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 63.84 3kqz n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqz n LEU 495 N -3.12 0.36 0.00 1.04 4.77 -0.12 -5.07 117.00 114.86 3kqz n LEU 495 Ca -0.04 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3kqz n LEU 495 Cb 0.13 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3kqz n LEU 495 CO 0.05 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 3kqz n GLY 496 N 1.25 -0.20 0.18 -0.72 0.00 -0.16 -4.33 105.19 101.21 3kqz n GLY 496 Ca -0.04 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.07 3kqz n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kqz n THR 497 N 0.00 0.00 -0.10 2.61 -2.24 -1.26 -4.30 114.28 108.99 3kqz n THR 497 Ca 0.00 -0.09 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 3kqz n THR 497 Cb 0.00 0.61 -0.13 0.00 -2.10 0.00 0.00 70.33 68.71 3kqz n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kqz n SER 498 N -0.92 1.51 -4.40 3.42 7.64 -1.26 -4.27 113.62 115.34 3kqz n SER 498 Ca 0.08 -0.03 -0.33 0.00 1.01 0.00 0.00 58.87 59.61 3kqz n SER 498 Cb 0.36 -0.15 -0.14 0.00 -1.01 0.00 0.00 64.21 63.27 3kqz n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kqz s TYR 499 N -2.52 2.79 0.75 1.43 1.51 -1.26 -4.49 117.35 115.56 3kqz s TYR 499 Ca -0.26 -0.52 -0.11 0.00 -1.01 0.00 0.00 57.07 55.17 3kqz s TYR 499 Cb 0.08 -1.79 0.05 0.00 -0.11 0.00 0.00 41.96 40.19 3kqz s TYR 499 CO 0.69 -0.11 1.13 0.00 -1.11 0.00 0.00 175.55 176.15 3kqz s ALA 500 N 0.07 2.80 -0.13 3.71 0.00 -0.49 -4.69 121.76 123.04 3kqz s ALA 500 Ca -0.05 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 3kqz s ALA 500 Cb -0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 3kqz s ALA 500 CO 0.04 -1.40 0.05 0.20 0.00 0.00 0.00 175.76 174.65 3kqz s GLY 501 N -4.47 1.92 -0.12 0.00 0.00 -0.90 -0.47 107.32 103.27 3kqz s GLY 501 Ca 0.60 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.57 3kqz s GLY 501 CO 0.50 -0.27 -0.14 0.54 0.00 0.00 0.00 173.10 173.72 3kqz s VAL 502 N -0.37 2.95 0.14 1.40 0.11 0.12 0.08 120.40 124.83 3kqz s VAL 502 Ca 0.09 -0.70 0.09 0.00 -2.93 0.00 0.00 61.98 58.52 3kqz s VAL 502 Cb -0.12 -2.22 -0.04 0.00 -1.53 0.00 0.00 36.38 32.47 3kqz s VAL 502 CO 0.02 0.53 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.75 3kqz s PHE 503 N 0.24 1.90 0.07 1.54 0.08 0.12 -0.96 117.98 120.98 3kqz s PHE 503 Ca -0.10 -0.43 -0.10 0.00 0.12 0.00 0.00 56.93 56.43 3kqz s PHE 503 Cb -0.16 -1.00 0.03 0.00 -0.57 0.00 0.00 43.02 41.33 3kqz s PHE 503 CO 0.06 0.29 0.47 0.41 -0.10 0.00 0.00 175.22 176.34 3kqz n GLY 504 N 0.70 0.92 0.79 4.36 0.00 -1.26 0.49 105.19 111.20 3kqz n GLY 504 Ca -0.16 -1.01 0.07 0.00 0.00 0.00 0.00 46.02 44.92 3kqz n GLY 504 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kqz n ASN 505 N -0.85 3.04 -3.54 1.61 0.23 0.12 -4.80 115.26 111.08 3kqz n ASN 505 Ca -0.01 -1.93 -0.13 0.00 -0.53 0.00 0.00 54.58 51.98 3kqz n ASN 505 Cb 0.25 -0.25 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 3kqz n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqz s ASN 506 N -1.04 0.56 0.21 0.53 3.84 -1.26 -4.85 114.94 112.92 3kqz s ASN 506 Ca 0.28 0.31 -0.10 0.00 0.21 0.00 0.00 52.86 53.56 3kqz s ASN 506 Cb 0.15 0.78 0.22 0.00 -0.55 0.00 0.00 41.25 41.85 3kqz s ASN 506 CO 0.20 -0.28 1.82 -0.33 -2.79 0.00 0.00 177.10 175.72 3kqz h GLU 507 N 8.26 0.69 -0.11 0.43 5.08 -1.96 -1.84 114.58 125.13 3kqz h GLU 507 Ca -0.16 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3kqz h GLU 507 Cb 1.13 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 3kqz h GLU 507 CO 0.21 0.45 0.07 1.49 -1.00 0.00 0.00 179.01 180.23 3kqz h GLU 508 N 0.71 0.15 -0.99 2.33 4.81 -1.99 0.48 114.58 120.08 3kqz h GLU 508 Ca 0.29 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 3kqz h GLU 508 Cb 0.14 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 3kqz h GLU 508 CO -0.16 0.14 0.64 1.25 -0.73 0.00 0.00 179.01 180.16 3kqz h LEU 509 N 0.12 1.06 -0.31 1.64 5.85 -1.87 -1.62 115.31 120.19 3kqz h LEU 509 Ca 0.04 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3kqz h LEU 509 Cb 0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3kqz h LEU 509 CO -0.01 0.72 0.19 0.40 -0.34 0.00 0.00 178.44 179.40 3kqz h ILE 510 N 1.23 1.11 -0.45 4.05 1.08 -0.89 -1.38 117.51 122.26 3kqz h ILE 510 Ca 0.40 -0.26 0.07 0.00 -0.39 0.00 0.00 64.86 64.68 3kqz h ILE 510 Cb 0.03 0.72 -0.06 0.00 -3.07 0.00 0.00 36.82 34.45 3kqz h ILE 510 CO -0.13 0.11 0.10 0.78 -0.69 0.00 0.00 178.15 178.31 3kqz h ASN 511 N 0.40 0.02 -0.51 1.72 2.35 -0.17 0.16 115.58 119.54 3kqz h ASN 511 Ca 0.11 0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3kqz h ASN 511 Cb 0.01 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3kqz h ASN 511 CO -0.02 0.04 0.31 0.11 -1.65 0.00 0.00 177.43 176.22 3kqz h LYS 512 N 0.23 0.60 -0.76 0.81 1.57 -1.05 0.57 116.57 118.54 3kqz h LYS 512 Ca 0.22 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.05 3kqz h LYS 512 Cb 0.27 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 3kqz h LYS 512 CO -0.28 0.39 0.41 0.82 -0.57 0.00 0.00 179.45 180.23 3kqz h ILE 513 N 0.61 0.90 -0.27 1.86 1.08 -0.41 0.32 117.51 121.60 3kqz h ILE 513 Ca 0.20 -0.24 -0.15 0.00 -0.39 0.00 0.00 64.86 64.28 3kqz h ILE 513 Cb 0.01 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 3kqz h ILE 513 CO -0.09 0.13 -0.45 -0.07 -0.69 0.00 0.00 178.15 176.98 3kqz h LEU 514 N 0.71 0.77 -0.00 1.44 3.38 0.80 -0.12 115.31 122.28 3kqz h LEU 514 Ca 0.37 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3kqz h LEU 514 Cb 0.34 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3kqz h LEU 514 CO -0.24 1.10 -0.11 1.56 0.09 0.00 0.00 178.44 180.84 3kqz h GLN 515 N 0.57 -0.18 -0.19 1.13 4.20 0.78 -1.49 115.11 119.93 3kqz h GLN 515 Ca 0.04 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.81 3kqz h GLN 515 Cb 1.00 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 3kqz h GLN 515 CO 0.10 -0.12 0.14 0.77 -0.67 0.00 0.00 178.83 179.05 3kqz h SER 516 N -0.19 0.00 -0.05 1.46 0.02 -0.10 -0.58 113.55 114.11 3kqz h SER 516 Ca 0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3kqz h SER 516 Cb 0.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3kqz h SER 516 CO -0.11 0.00 -0.04 -1.28 -1.14 0.00 0.00 176.83 174.26 3kqz h SER 517 N 0.00 0.12 -0.25 3.07 0.87 -0.39 0.27 113.55 117.25 3kqz h SER 517 Ca 0.09 -0.45 0.05 0.00 -1.23 0.00 0.00 61.79 60.25 3kqz h SER 517 Cb 0.38 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 3kqz h SER 517 CO -0.00 0.55 -0.08 0.11 -0.53 0.00 0.00 176.83 176.88 3kqz h LYS 518 N -0.30 -0.02 0.00 2.24 6.56 -0.13 0.34 116.57 125.26 3kqz h LYS 518 Ca 0.01 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.50 3kqz h LYS 518 Cb 0.51 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.16 3kqz h LYS 518 CO 0.01 -0.01 -1.07 1.79 -2.06 0.00 0.00 179.45 178.10 3kqz h THR 519 N -0.02 0.37 0.00 -0.16 1.35 -1.21 -2.56 112.91 110.68 3kqz h THR 519 Ca 0.12 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 3kqz h THR 519 Cb 0.21 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3kqz h THR 519 CO -0.27 0.21 0.00 0.77 -0.25 0.00 0.00 175.52 175.98 3kqz h SER 520 N 0.00 0.00 -2.03 5.36 4.64 -0.47 -3.48 113.55 117.57 3kqz h SER 520 Ca -0.08 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.93 3kqz h SER 520 Cb 1.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.41 3kqz h SER 520 CO 0.03 0.00 -0.38 0.59 -0.87 0.00 0.00 176.83 176.20 3kqz n ASN 521 N -3.07 -4.66 -4.19 4.97 4.13 0.08 -4.82 115.26 107.69 3kqz n ASN 521 Ca 0.04 0.03 -0.39 0.00 1.68 0.00 0.00 54.58 55.94 3kqz n ASN 521 Cb 0.49 -3.76 -0.10 0.00 -1.54 0.00 0.00 39.78 34.87 3kqz n ASN 521 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3kqz s GLU 522 N -4.60 2.33 0.17 3.52 2.02 -1.01 -5.03 118.70 116.10 3kqz s GLU 522 Ca 0.00 -1.71 -0.31 0.00 0.02 0.00 0.00 54.97 52.97 3kqz s GLU 522 Cb 0.00 -3.75 -0.09 0.00 0.10 0.00 0.00 34.13 30.39 3kqz s GLU 522 CO 0.00 -1.09 1.47 -1.25 0.02 0.00 0.00 175.26 174.42 3kqz s PRO 523 N 1.29 4.27 0.05 0.39 0.04 -1.26 -4.63 135.00 135.14 3kqz s PRO 523 Ca 0.06 2.25 0.03 0.00 0.04 0.00 0.00 61.00 63.38 3kqz s PRO 523 Cb -0.24 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 3kqz s PRO 523 CO -0.02 -0.50 -0.11 0.08 0.04 0.00 0.00 177.00 176.50 3kqz s VAL 524 N 0.80 0.80 -0.01 -0.36 1.01 -1.26 -1.40 120.40 119.97 3kqz s VAL 524 Ca 0.65 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3kqz s VAL 524 Cb -0.41 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 3kqz s VAL 524 CO 0.34 -0.26 -0.13 0.86 0.00 0.00 0.00 175.10 175.91 3kqz s TRP 525 N -1.21 1.22 -0.17 5.22 -0.11 0.37 -4.87 118.94 119.39 3kqz s TRP 525 Ca -0.05 -0.24 -0.26 0.00 1.22 0.00 0.00 56.10 56.76 3kqz s TRP 525 Cb -0.09 -0.79 -0.01 0.00 -1.50 0.00 0.00 33.47 31.07 3kqz s TRP 525 CO 0.01 -0.03 0.89 -0.46 -4.62 0.00 0.00 176.95 172.74 3kqz s TRP 526 N -0.27 3.42 0.15 5.86 -0.00 -1.26 -0.70 118.94 126.13 3kqz s TRP 526 Ca 0.04 1.33 0.09 0.00 -0.00 0.00 0.00 56.10 57.56 3kqz s TRP 526 Cb -0.06 -3.08 -0.04 0.00 -0.00 0.00 0.00 33.47 30.29 3kqz s TRP 526 CO -0.00 -0.28 -0.15 -0.51 -0.00 0.00 0.00 176.95 176.01 3kqz s LEU 527 N 2.32 2.81 0.18 5.86 1.43 -0.13 -4.92 118.68 126.22 3kqz s LEU 527 Ca 0.40 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 3kqz s LEU 527 Cb -0.17 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.41 3kqz s LEU 527 CO 0.12 0.14 0.56 -2.16 0.23 0.00 0.00 176.35 175.24 3kqz s PRO 528 N -2.47 3.92 -0.52 1.29 0.04 -1.26 -4.45 135.00 131.55 3kqz s PRO 528 Ca 0.21 0.43 -0.21 0.00 0.04 0.00 0.00 61.00 61.47 3kqz s PRO 528 Cb -0.10 -2.82 0.05 0.00 0.04 0.00 0.00 34.50 31.68 3kqz s PRO 528 CO 0.12 0.41 0.76 0.42 0.04 0.00 0.00 177.00 178.75 3kqz s ILE 529 N -1.60 4.67 -0.57 0.56 1.01 -1.26 -4.82 121.20 119.18 3kqz s ILE 529 Ca 0.42 -0.15 -0.21 0.00 0.00 0.00 0.00 60.65 60.71 3kqz s ILE 529 Cb -0.14 -4.40 0.06 0.00 0.01 0.00 0.00 42.46 38.00 3kqz s ILE 529 CO 0.20 -0.93 0.81 -0.63 0.00 0.00 0.00 174.94 174.39 3kqz s ILE 530 N 3.19 4.60 0.52 2.92 1.01 -1.26 -4.93 121.20 127.25 3kqz s ILE 530 Ca 0.22 -0.32 0.18 0.00 0.00 0.00 0.00 60.65 60.72 3kqz s ILE 530 Cb -0.16 -4.49 0.30 0.00 0.01 0.00 0.00 42.46 38.12 3kqz s ILE 530 CO 0.15 -1.10 2.11 0.78 0.00 0.00 0.00 174.94 176.88 3kqz h ASN 531 N 9.25 0.03 -0.48 3.58 2.35 -1.98 -1.84 115.58 126.49 3kqz h ASN 531 Ca -0.28 -0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.61 3kqz h ASN 531 Cb 1.08 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 3kqz h ASN 531 CO 1.07 0.02 0.47 -0.08 -1.65 0.00 0.00 177.43 177.26 3kqz h GLU 532 N 0.03 0.00 0.00 0.81 4.81 -2.04 0.56 114.58 118.75 3kqz h GLU 532 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kqz h GLU 532 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3kqz h GLU 532 CO -0.00 0.00 -0.05 1.88 -0.73 0.00 0.00 179.01 180.10 3kqz h TYR 533 N 0.00 0.00 -0.76 0.92 0.05 -1.76 -3.36 116.97 112.06 3kqz h TYR 533 Ca 0.23 0.00 0.18 0.00 0.05 0.00 0.00 58.73 59.18 3kqz h TYR 533 Cb 1.16 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.77 3kqz h TYR 533 CO 0.00 0.00 0.05 -0.09 -1.05 0.00 0.00 178.16 177.07 3kqz h ARG 534 N 0.00 0.13 -0.34 4.88 9.65 -1.05 -0.32 114.38 127.32 3kqz h ARG 534 Ca 0.00 -0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.97 3kqz h ARG 534 Cb 0.78 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.32 3kqz h ARG 534 CO 0.00 0.08 0.30 0.00 2.80 0.00 0.00 179.97 183.15 3kqz h ALA 535 N 1.70 2.16 0.00 2.80 0.00 -1.76 0.75 119.26 124.91 3kqz h ALA 535 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3kqz h ALA 535 Cb 0.77 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3kqz h ALA 535 CO -0.65 -0.47 0.00 0.25 0.00 0.00 0.00 179.25 178.38 3kqz n THR 536 N -4.09 0.01 1.01 0.00 -2.24 -0.13 -2.09 114.28 106.74 3kqz n THR 536 Ca 0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 3kqz n THR 536 Cb 0.47 -0.57 0.11 0.00 -2.10 0.00 0.00 70.33 68.23 3kqz n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqz n LEU 537 N -1.02 2.97 -4.58 3.22 4.77 0.26 -4.28 117.00 118.34 3kqz n LEU 537 Ca 0.20 -0.99 -0.40 0.00 -0.03 0.00 0.00 56.01 54.78 3kqz n LEU 537 Cb 0.10 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3kqz n LEU 537 CO 0.16 0.50 1.64 0.20 -1.33 0.00 0.00 177.39 178.56 3kqz s ASN 538 N -2.00 5.45 0.47 -1.43 0.01 -0.89 0.20 114.94 116.76 3kqz s ASN 538 Ca 0.28 0.98 -0.21 0.00 -0.71 0.00 0.00 52.86 53.20 3kqz s ASN 538 Cb 0.20 -2.52 -0.09 0.00 0.41 0.00 0.00 41.25 39.25 3kqz s ASN 538 CO 0.30 -2.12 1.01 -0.55 -1.51 0.00 0.00 177.10 174.24 3kqz s SER 539 N 7.75 6.52 0.18 -1.22 0.15 -1.26 -4.75 113.70 121.06 3kqz s SER 539 Ca 0.79 1.87 -0.01 0.00 0.70 0.00 0.00 55.95 59.30 3kqz s SER 539 Cb -0.19 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.63 3kqz s SER 539 CO 0.28 -0.66 1.44 0.50 1.20 0.00 0.00 173.24 176.00 3kqz h LYS 540 N 1.69 0.39 0.00 5.44 1.63 -1.96 -3.40 116.57 120.36 3kqz h LYS 540 Ca -0.49 -0.32 -0.25 0.00 -0.85 0.00 0.00 60.65 58.74 3kqz h LYS 540 Cb 1.21 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.86 3kqz h LYS 540 CO 0.60 0.96 -1.93 0.66 -3.45 0.00 0.00 179.45 176.29 3kqz n TYR 541 N -3.83 0.00 -2.74 1.91 4.01 -1.26 -5.03 117.16 110.22 3kqz n TYR 541 Ca -0.04 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.49 3kqz n TYR 541 Cb 0.71 -0.63 0.06 0.00 -0.31 0.00 0.00 39.34 39.17 3kqz n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqz s ALA 542 N -2.33 4.06 0.43 -0.72 0.00 -1.26 -4.99 121.76 116.95 3kqz s ALA 542 Ca -0.21 -1.64 0.14 0.00 0.00 0.00 0.00 51.96 50.24 3kqz s ALA 542 Cb 0.06 -1.89 0.94 0.00 0.00 0.00 0.00 23.12 22.22 3kqz s ALA 542 CO 0.38 -0.94 1.96 -0.44 0.00 0.00 0.00 175.76 176.73 3kqz h ASP 543 N -0.03 0.03 -4.72 0.00 3.32 -1.82 -3.39 116.42 109.81 3kqz h ASP 543 Ca -0.38 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.62 3kqz h ASP 543 Cb 1.28 -0.01 -0.20 0.00 0.22 0.00 0.00 39.33 40.63 3kqz h ASP 543 CO 0.45 0.23 0.19 -0.51 -1.72 0.00 0.00 179.24 177.89 3kqz s ILE 544 N -4.59 0.00 0.20 0.35 2.07 -1.06 -4.53 121.20 113.63 3kqz s ILE 544 Ca -0.04 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 58.96 3kqz s ILE 544 Cb 0.16 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.66 3kqz s ILE 544 CO 0.71 0.00 0.78 0.20 -1.91 0.00 0.00 174.94 174.71 3kqz s ASN 545 N -0.82 7.30 0.30 4.50 0.01 0.55 -1.01 114.94 125.76 3kqz s ASN 545 Ca -0.08 1.60 0.05 0.00 -0.71 0.00 0.00 52.86 53.73 3kqz s ASN 545 Cb -0.01 -2.49 0.47 0.00 0.41 0.00 0.00 41.25 39.64 3kqz s ASN 545 CO 0.08 0.14 1.73 -0.61 -1.51 0.00 0.00 177.10 176.92 3kqz h GLN 546 N 3.97 0.32 -4.48 -0.60 4.15 -1.64 -3.46 115.11 113.36 3kqz h GLN 546 Ca -0.47 -0.13 -0.18 0.00 0.77 0.00 0.00 58.65 58.63 3kqz h GLN 546 Cb 1.20 -0.01 -0.15 0.00 0.21 0.00 0.00 27.48 28.73 3kqz h GLN 546 CO 0.66 0.62 -0.69 0.96 -1.93 0.00 0.00 178.83 178.44 3kqz s ILE 547 N -4.32 0.50 0.01 2.39 -4.36 -1.26 -4.89 121.20 109.27 3kqz s ILE 547 Ca -0.05 -1.86 -0.23 0.00 -0.26 0.00 0.00 60.65 58.25 3kqz s ILE 547 Cb 0.14 -1.58 -0.05 0.00 1.25 0.00 0.00 42.46 42.21 3kqz s ILE 547 CO 0.77 -0.91 0.69 -0.55 0.24 0.00 0.00 174.94 175.19 3kqz s SER 548 N -2.95 7.10 0.18 4.36 0.15 -1.26 -4.77 113.70 116.51 3kqz s SER 548 Ca 0.09 1.31 0.25 0.00 0.70 0.00 0.00 55.95 58.30 3kqz s SER 548 Cb 0.06 -2.42 0.58 0.00 -1.71 0.00 0.00 66.02 62.52 3kqz s SER 548 CO -0.07 0.03 1.56 0.77 1.20 0.00 0.00 173.24 176.74 3kqz h SER 549 N 5.78 0.00 0.00 5.45 4.64 -2.01 -3.39 113.55 124.01 3kqz h SER 549 Ca -0.44 -0.09 -0.20 0.00 -0.47 0.00 0.00 61.79 60.59 3kqz h SER 549 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 3kqz h SER 549 CO 0.71 0.04 -1.89 -1.54 -0.87 0.00 0.00 176.83 173.29 3kqz n SER 550 N -2.25 1.64 -4.64 4.97 3.41 -1.26 -4.99 113.62 110.50 3kqz n SER 550 Ca 0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.28 3kqz n SER 550 Cb 0.44 0.98 -0.10 0.00 -0.26 0.00 0.00 64.21 65.28 3kqz n SER 550 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kqz s VAL 551 N -2.45 5.31 -1.21 -3.33 1.01 -1.26 -4.95 120.40 113.52 3kqz s VAL 551 Ca -0.06 0.28 0.27 0.00 0.00 0.00 0.00 61.98 62.46 3kqz s VAL 551 Cb 0.05 -3.55 0.17 0.00 0.00 0.00 0.00 36.38 33.04 3kqz s VAL 551 CO 0.57 0.29 1.62 0.29 0.00 0.00 0.00 175.10 177.87 3kqz n LYS 552 N 4.58 0.23 -1.60 2.72 4.76 -1.26 -4.37 118.16 123.22 3kqz n LYS 552 Ca -0.13 -0.11 -0.41 0.00 -2.87 0.00 0.00 58.31 54.79 3kqz n LYS 552 Cb 0.52 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.20 3kqz n LYS 552 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kqz n ALA 553 N -1.29 6.31 0.25 7.82 0.00 -1.26 -4.74 120.51 127.60 3kqz n ALA 553 Ca 0.08 -3.77 0.14 0.00 0.00 0.00 0.00 53.44 49.89 3kqz n ALA 553 Cb 0.33 -3.45 0.57 0.00 0.00 0.00 0.00 19.45 16.90 3kqz n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kqz h SER 554 N 5.60 0.00 0.17 0.00 4.64 -1.98 0.67 113.55 122.66 3kqz h SER 554 Ca 0.68 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.90 3kqz h SER 554 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3kqz h SER 554 CO 1.84 0.11 -0.36 0.28 -0.87 0.00 0.00 176.83 177.83 3kqz h SER 555 N 0.00 0.28 0.28 4.97 0.02 -1.94 0.22 113.55 117.38 3kqz h SER 555 Ca -0.00 -0.11 -0.34 0.00 -0.84 0.00 0.00 61.79 60.51 3kqz h SER 555 Cb 0.62 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 63.11 3kqz h SER 555 CO 0.01 0.62 -1.59 0.40 -1.14 0.00 0.00 176.83 175.13 3kqz h ILE 556 N 0.23 1.13 -0.26 3.27 2.04 -1.69 -2.82 117.51 119.42 3kqz h ILE 556 Ca 0.03 -2.66 -0.03 0.00 1.00 0.00 0.00 64.86 63.20 3kqz h ILE 556 Cb 0.75 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.70 3kqz h ILE 556 CO 0.06 0.84 0.05 0.58 0.00 0.00 0.00 178.15 179.68 3kqz h VAL 557 N 0.12 1.22 -0.96 1.67 2.07 -0.66 0.17 116.25 119.88 3kqz h VAL 557 Ca -0.29 -0.73 0.15 0.00 0.82 0.00 0.00 66.70 66.66 3kqz h VAL 557 Cb 2.11 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 32.99 3kqz h VAL 557 CO 0.22 0.23 0.57 0.00 0.02 0.00 0.00 177.57 178.61 3kqz h ALA 558 N 0.87 1.51 -0.20 1.67 0.00 -0.65 -0.54 119.26 121.93 3kqz h ALA 558 Ca 0.08 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3kqz h ALA 558 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kqz h ALA 558 CO 0.00 0.03 -0.03 0.77 0.00 0.00 0.00 179.25 180.02 3kqz h SER 559 N 0.80 0.37 -0.83 0.00 0.02 -1.14 -0.71 113.55 112.06 3kqz h SER 559 Ca 0.52 -0.35 0.13 0.00 -0.84 0.00 0.00 61.79 61.25 3kqz h SER 559 Cb 0.70 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 63.05 3kqz h SER 559 CO -0.34 0.63 0.43 -0.07 -1.14 0.00 0.00 176.83 176.34 3kqz h LEU 560 N 0.10 0.54 0.18 5.07 3.38 -0.43 0.13 115.31 124.28 3kqz h LEU 560 Ca 0.05 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3kqz h LEU 560 Cb 0.46 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3kqz h LEU 560 CO 0.02 0.25 -0.09 0.15 0.09 0.00 0.00 178.44 178.86 3kqz h PHE 561 N 0.65 -0.22 -0.64 1.13 3.04 -0.65 -2.75 116.94 117.49 3kqz h PHE 561 Ca 0.44 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.42 3kqz h PHE 561 Cb 0.58 0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.12 3kqz h PHE 561 CO -0.09 -0.12 0.42 -0.07 -2.02 0.00 0.00 178.31 176.43 3kqz h LEU 562 N -0.26 0.64 -2.31 0.59 3.38 -0.36 -1.32 115.31 115.68 3kqz h LEU 562 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kqz h LEU 562 Cb 0.20 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kqz h LEU 562 CO 0.04 0.44 0.00 0.50 0.09 0.00 0.00 178.44 179.51 3kqz h LYS 563 N 0.74 0.00 0.00 1.13 3.64 -0.69 -1.15 116.57 120.25 3kqz h LYS 563 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3kqz h LYS 563 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3kqz h LYS 563 CO -0.07 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.50 3kqz n GLU 564 N -3.02 0.04 -0.15 1.90 -0.58 -0.50 -3.10 120.64 115.23 3kqz n GLU 564 Ca -0.01 0.20 0.06 0.00 -0.42 0.00 0.00 57.16 56.98 3kqz n GLU 564 Cb 0.16 -1.56 0.14 0.00 -0.57 0.00 0.00 31.44 29.60 3kqz n GLU 564 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kqz n PHE 565 N -1.63 0.40 -4.04 -0.32 3.01 -0.43 -4.76 117.46 109.69 3kqz n PHE 565 Ca 0.04 -0.44 -0.32 0.00 1.01 0.00 0.00 57.45 57.75 3kqz n PHE 565 Cb 0.24 -0.02 -0.15 0.00 -0.01 0.00 0.00 39.48 39.53 3kqz n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kqz s VAL 566 N -0.99 2.11 -0.02 -4.37 1.01 -1.18 -3.92 120.40 113.04 3kqz s VAL 566 Ca 0.22 -1.73 -0.20 0.00 0.00 0.00 0.00 61.98 60.27 3kqz s VAL 566 Cb 0.12 -2.30 -0.30 0.00 0.00 0.00 0.00 36.38 33.90 3kqz s VAL 566 CO 0.15 -0.15 0.97 1.56 0.00 0.00 0.00 175.10 177.63 3kqz h GLN 567 N 7.76 0.38 0.00 2.72 7.50 -1.86 -3.44 115.11 128.18 3kqz h GLN 567 Ca -0.16 -0.56 -0.14 0.00 0.50 0.00 0.00 58.65 58.29 3kqz h GLN 567 Cb 1.04 0.20 -0.21 0.00 0.05 0.00 0.00 27.48 28.55 3kqz h GLN 567 CO 0.47 1.24 -0.54 -1.71 -1.50 0.00 0.00 178.83 176.79 3kqz n ASN 568 N -4.08 -0.31 -4.13 1.46 5.15 -1.26 -5.11 115.26 106.98 3kqz n ASN 568 Ca -0.13 -1.99 -0.17 0.00 -0.60 0.00 0.00 54.58 51.69 3kqz n ASN 568 Cb 0.83 0.09 -0.12 0.00 -0.53 0.00 0.00 39.78 40.05 3kqz n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kqz s THR 569 N 0.00 0.96 0.14 -0.44 2.01 -1.26 -5.11 115.64 111.94 3kqz s THR 569 Ca 0.11 -1.14 -0.31 0.00 0.31 0.00 0.00 61.69 60.66 3kqz s THR 569 Cb 0.13 -0.93 -0.10 0.00 0.01 0.00 0.00 72.50 71.61 3kqz s THR 569 CO -0.06 -0.19 1.66 0.00 -0.69 0.00 0.00 174.62 175.34 3kqz s ALA 570 N -1.16 3.79 -0.07 7.40 0.00 -1.25 -4.92 121.76 125.55 3kqz s ALA 570 Ca -0.03 1.39 -0.06 0.00 0.00 0.00 0.00 51.96 53.26 3kqz s ALA 570 Cb -0.09 -3.68 0.02 0.00 0.00 0.00 0.00 23.12 19.37 3kqz s ALA 570 CO 0.02 -0.96 0.19 -0.46 0.00 0.00 0.00 175.76 174.55 3kqz s TRP 571 N 1.76 -0.22 0.06 0.00 -0.00 -1.26 -1.24 118.94 118.04 3kqz s TRP 571 Ca 0.74 0.54 0.01 0.00 -0.00 0.00 0.00 56.10 57.39 3kqz s TRP 571 Cb -0.44 0.05 -0.03 0.00 -0.00 0.00 0.00 33.47 33.05 3kqz s TRP 571 CO 0.32 -0.12 -0.06 0.00 -0.00 0.00 0.00 176.95 177.09 3kqz s ALA 572 N 0.33 0.64 -0.04 5.86 0.00 -0.56 0.12 121.76 128.12 3kqz s ALA 572 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3kqz s ALA 572 Cb -0.03 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.24 3kqz s ALA 572 CO -0.01 -0.16 -0.00 -1.58 0.00 0.00 0.00 175.76 174.01 3kqz s HIS 573 N -2.48 0.38 -0.25 0.00 2.46 0.18 -0.39 115.29 115.19 3kqz s HIS 573 Ca -0.01 -0.02 -0.02 0.00 0.47 0.00 0.00 55.06 55.47 3kqz s HIS 573 Cb -0.02 -0.48 0.02 0.00 -0.13 0.00 0.00 32.58 31.96 3kqz s HIS 573 CO -0.03 -0.16 -0.05 0.42 -2.47 0.00 0.00 174.74 172.45 3kqz s ILE 574 N 1.17 3.03 -0.38 0.89 1.01 0.16 0.13 121.20 127.22 3kqz s ILE 574 Ca -0.08 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.47 3kqz s ILE 574 Cb -0.13 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.83 3kqz s ILE 574 CO -0.02 0.23 0.52 -0.62 0.00 0.00 0.00 174.94 175.04 3kqz s ASP 575 N 1.36 6.29 -0.14 3.58 -1.08 0.11 -0.87 116.67 125.92 3kqz s ASP 575 Ca 0.01 -0.23 0.16 0.00 -0.52 0.00 0.00 52.55 51.97 3kqz s ASP 575 Cb -0.16 -2.27 0.38 0.00 -1.46 0.00 0.00 42.92 39.41 3kqz s ASP 575 CO -0.04 -0.55 1.27 2.30 0.52 0.00 0.00 175.17 178.67 3kqz n ILE 576 N 5.50 1.96 -0.24 4.11 -5.35 0.10 -2.12 119.36 123.33 3kqz n ILE 576 Ca -0.05 -1.94 0.14 0.00 -0.27 0.00 0.00 62.75 60.64 3kqz n ILE 576 Cb 0.48 -0.16 0.43 0.00 -1.74 0.00 0.00 39.64 38.66 3kqz n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqz h ALA 577 N 0.95 1.96 0.00 -1.28 0.00 -1.83 -1.43 119.26 117.63 3kqz h ALA 577 Ca 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 3kqz h ALA 577 Cb 1.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3kqz h ALA 577 CO 0.10 -0.20 -1.07 0.78 0.00 0.00 0.00 179.25 178.86 3kqz h GLY 578 N 0.57 0.00 0.00 0.00 0.00 -1.82 -3.39 103.07 98.43 3kqz h GLY 578 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3kqz h GLY 578 CO -0.18 0.00 -0.70 3.33 0.00 0.00 0.00 176.54 178.99 3kqz n VAL 579 N -3.22 0.00 0.10 4.60 0.24 -0.92 -4.20 118.33 114.93 3kqz n VAL 579 Ca -0.04 -0.18 -0.03 0.00 -2.04 0.00 0.00 64.34 62.05 3kqz n VAL 579 Cb 0.91 0.96 0.17 0.00 -1.47 0.00 0.00 33.84 34.41 3kqz n VAL 579 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3kqz h SER 580 N 0.00 0.22 -3.33 -1.34 0.87 -1.48 -3.43 113.55 105.07 3kqz h SER 580 Ca 0.00 -0.12 -0.66 0.00 -1.23 0.00 0.00 61.79 59.79 3kqz h SER 580 Cb 0.34 -0.06 -0.27 0.00 -0.44 0.00 0.00 62.40 61.97 3kqz h SER 580 CO 0.00 0.72 -0.75 0.86 -0.53 0.00 0.00 176.83 177.13 3kqz s TRP 581 N -3.89 2.87 -0.58 2.24 -0.11 -1.26 -0.45 118.94 117.76 3kqz s TRP 581 Ca -0.04 -0.75 -0.24 0.00 1.22 0.00 0.00 56.10 56.29 3kqz s TRP 581 Cb 0.13 -1.94 0.05 0.00 -1.50 0.00 0.00 33.47 30.21 3kqz s TRP 581 CO 0.78 -0.33 0.97 1.21 -4.62 0.00 0.00 176.95 174.96 3kqz s ASN 582 N 0.73 6.30 0.15 5.86 3.84 0.59 -4.89 114.94 127.53 3kqz s ASN 582 Ca -0.04 -0.48 -0.14 0.00 0.21 0.00 0.00 52.86 52.40 3kqz s ASN 582 Cb -0.15 -2.44 0.03 0.00 -0.55 0.00 0.00 41.25 38.14 3kqz s ASN 582 CO 0.02 -1.31 1.70 -0.26 -2.79 0.00 0.00 177.10 174.46 3kqz h PHE 583 N 9.40 0.75 -0.06 0.43 -1.00 -1.96 -0.88 116.94 123.62 3kqz h PHE 583 Ca -0.27 -0.06 0.03 0.00 2.81 0.00 0.00 57.97 60.48 3kqz h PHE 583 Cb 1.07 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 40.38 3kqz h PHE 583 CO 0.94 0.63 -0.10 0.87 -1.61 0.00 0.00 178.31 179.04 3kqz h LYS 584 N 0.65 -0.13 -0.07 1.51 1.57 -1.95 -3.10 116.57 115.04 3kqz h LYS 584 Ca 0.16 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3kqz h LYS 584 Cb 0.20 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3kqz h LYS 584 CO -0.01 -0.09 0.00 0.00 -0.57 0.00 0.00 179.45 178.78 3kqz n ALA 585 N -2.39 2.56 -3.97 3.86 0.00 -1.18 -4.95 120.51 114.43 3kqz n ALA 585 Ca -0.04 -0.44 -0.32 0.00 0.00 0.00 0.00 53.44 52.64 3kqz n ALA 585 Cb 0.15 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.43 3kqz n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqz n ARG 586 N 0.08 -4.17 -3.85 0.00 1.74 -0.36 -4.96 116.66 105.14 3kqz n ARG 586 Ca 0.18 0.48 -0.09 0.00 -0.77 0.00 0.00 57.85 57.65 3kqz n ARG 586 Cb 0.31 -5.28 -0.05 0.00 -1.02 0.00 0.00 32.46 26.41 3kqz n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kqz s LYS 587 N -6.67 1.35 0.87 5.56 -2.85 -1.08 -5.00 119.74 111.93 3kqz s LYS 587 Ca 0.67 -1.02 -0.12 0.00 -1.00 0.00 0.00 55.97 54.50 3kqz s LYS 587 Cb -0.35 0.47 0.11 0.00 -2.06 0.00 0.00 37.83 36.01 3kqz s LYS 587 CO 0.82 -0.55 1.10 -2.14 0.10 0.00 0.00 175.35 174.68 3kqz s PRO 588 N -3.92 1.45 -0.01 1.78 0.02 -1.26 -0.30 135.00 132.76 3kqz s PRO 588 Ca 0.14 0.58 0.21 0.00 0.02 0.00 0.00 61.00 61.95 3kqz s PRO 588 Cb 0.00 -1.85 -0.25 0.00 0.02 0.00 0.00 34.50 32.42 3kqz s PRO 588 CO 0.00 -2.05 0.77 1.63 -0.33 0.00 0.00 177.00 177.03 3kqz n LYS 589 N -3.71 0.22 -2.71 5.54 5.02 0.41 -4.59 118.16 118.33 3kqz n LYS 589 Ca 0.07 -0.06 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 3kqz n LYS 589 Cb 0.57 -1.51 0.02 0.00 -0.02 0.00 0.00 35.03 34.09 3kqz n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqz n GLY 590 N 1.42 -0.19 3.71 0.72 0.00 -1.26 -4.90 105.19 104.70 3kqz n GLY 590 Ca 0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3kqz n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqz s PHE 591 N -2.95 2.84 0.00 1.61 5.36 -1.26 -3.06 117.98 120.52 3kqz s PHE 591 Ca 0.18 0.37 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 3kqz s PHE 591 Cb -0.08 -4.08 0.00 0.00 -0.34 0.00 0.00 43.02 38.52 3kqz s PHE 591 CO 0.22 -4.13 0.00 0.41 -1.46 0.00 0.00 175.22 170.26 3kqz n GLY 592 N 3.95 2.53 0.19 13.12 0.00 -1.26 -4.76 105.19 118.96 3kqz n GLY 592 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 3kqz n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqz h VAL 593 N 0.00 0.73 -0.67 1.61 2.07 -1.76 0.57 116.25 118.80 3kqz h VAL 593 Ca 0.00 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 3kqz h VAL 593 Cb 0.00 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3kqz h VAL 593 CO 0.00 0.07 0.14 0.03 0.02 0.00 0.00 177.57 177.83 3kqz h ARG 594 N -0.58 1.09 -0.67 1.57 3.08 -1.89 -0.80 114.38 116.18 3kqz h ARG 594 Ca -0.04 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.70 3kqz h ARG 594 Cb 0.42 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3kqz h ARG 594 CO 0.07 0.98 0.26 1.25 -1.07 0.00 0.00 179.97 181.45 3kqz h LEU 595 N 1.03 0.94 -0.20 3.04 5.85 -1.81 0.29 115.31 124.45 3kqz h LEU 595 Ca 0.21 -0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 3kqz h LEU 595 Cb 0.39 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3kqz h LEU 595 CO 0.01 0.86 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.49 3kqz h LEU 596 N 0.96 0.71 -0.18 2.25 3.38 -0.52 -1.32 115.31 120.59 3kqz h LEU 596 Ca 0.22 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3kqz h LEU 596 Cb 0.22 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kqz h LEU 596 CO -0.02 1.13 0.09 0.74 0.09 0.00 0.00 178.44 180.47 3kqz h THR 597 N 0.31 1.13 -0.85 0.22 2.02 -0.93 0.00 112.91 114.81 3kqz h THR 597 Ca 0.00 -0.36 0.12 0.00 0.77 0.00 0.00 66.41 66.94 3kqz h THR 597 Cb 1.01 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 68.40 3kqz h THR 597 CO 0.09 0.12 0.55 -0.33 0.37 0.00 0.00 175.52 176.32 3kqz h GLU 598 N 0.17 0.72 0.01 6.66 4.39 -0.93 0.49 114.58 126.08 3kqz h GLU 598 Ca 0.06 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 3kqz h GLU 598 Cb 0.11 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3kqz h GLU 598 CO -0.01 0.48 -0.01 0.35 -1.16 0.00 0.00 179.01 178.66 3kqz h PHE 599 N 0.74 -0.02 -0.54 4.33 3.57 -0.45 -0.84 116.94 123.74 3kqz h PHE 599 Ca 0.41 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.86 3kqz h PHE 599 Cb 0.55 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3kqz h PHE 599 CO -0.00 0.07 0.13 0.28 -2.23 0.00 0.00 178.31 176.56 3kqz h VAL 600 N -0.10 1.23 -0.01 1.41 2.07 0.02 -3.18 116.25 117.69 3kqz h VAL 600 Ca -0.00 -0.82 -0.18 0.00 0.82 0.00 0.00 66.70 66.52 3kqz h VAL 600 Cb 0.10 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3kqz h VAL 600 CO 0.00 0.30 -0.81 -0.07 0.02 0.00 0.00 177.57 177.02 3kqz h LEU 601 N 0.80 0.17 -0.48 2.57 4.07 0.09 -3.33 115.31 119.20 3kqz h LEU 601 Ca 0.18 -0.13 -0.09 0.00 0.08 0.00 0.00 57.88 57.92 3kqz h LEU 601 Cb 0.29 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 3kqz h LEU 601 CO -0.00 0.90 -0.06 0.78 -1.08 0.00 0.00 178.44 178.98 3kqz h ASN 602 N 0.08 0.88 0.00 -0.43 -0.26 -1.13 -3.51 115.58 111.21 3kqz h ASN 602 Ca -0.03 -0.34 0.00 0.00 -0.56 0.00 0.00 56.30 55.37 3kqz h ASN 602 Cb 1.41 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 3kqz h ASN 602 CO 0.12 1.01 0.00 0.47 -1.06 0.00 0.00 177.43 177.97